NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1885 8.1727 122.0586 56.3434 34.1404 174.1653 2 V 4.5089 8.2288 127.1910 61.0660 31.9394 173.6058 3 Y 4.2712 9.1607 126.8337 57.8076 39.1924 175.1705 4 D 4.4615 8.9323 122.1056 53.8257 42.6494 177.2991 5 R 3.1930 8.4303 123.3521 59.7936 30.0708 179.7018 6 C 4.3546 8.0947 115.6567 59.6364 34.9622 175.4845 7 E 3.8716 8.2185 120.7105 59.0952 29.1520 178.6777 8 L 3.7839 8.0128 120.1066 58.0324 42.0931 178.6386 9 A 4.0184 7.9400 120.6908 55.3243 18.2212 179.8198 10 R 3.8369 8.2218 116.2864 59.4112 30.3103 179.2107 11 A 3.9826 7.9033 120.2073 55.0567 18.3790 179.7160 12 L 3.8114 8.2188 117.8896 57.6618 41.7945 179.5631 13 K 3.8720 8.2884 119.5390 59.6471 31.9743 178.6773 14 A 4.0733 8.0639 119.6837 54.8038 18.2427 178.6886 15 S 4.5550 7.5502 111.2994 58.0117 62.9905 174.7752 16 G 3.9220 7.7391 108.8681 46.7168 0.0000 175.3863 17 M 3.7754 7.8677 121.4078 56.9458 32.0619 175.7787 18 D 4.7092 7.8543 117.5945 56.9254 40.0984 175.5686 19 G 4.0408 9.4472 114.8924 44.7206 0.0000 170.8541 20 Y 3.9519 8.2561 121.9457 58.6596 38.8514 175.9465 21 A 3.2481 8.8560 130.3127 53.2878 16.2313 177.3694 22 G 3.7698 8.4286 105.1986 47.5734 0.0000 174.3233 23 N 4.6400 7.8867 118.4443 50.7742 38.8836 175.0557 24 S 4.8373 8.2986 118.3164 57.6582 64.2646 174.9928 25 L 4.1841 9.3769 123.6699 58.5126 41.7027 177.6907 26 P 4.4296 0.0000 0.0000 65.6368 31.2227 178.3589 27 N 4.3656 7.9867 115.0262 56.2243 38.4817 177.5045 28 W 4.1309 7.8030 119.8114 59.5514 29.2075 178.7686 29 V 3.7955 8.0388 118.4502 66.0103 31.0732 177.2294 30 C 3.4259 8.0531 118.4805 59.3668 43.8364 175.5783 31 L 4.0676 7.8640 121.2432 58.9843 39.9438 179.4230 32 S 4.3701 8.0410 116.8974 60.5991 62.9277 176.4786 33 K 2.7612 7.8968 122.1825 59.1603 31.7076 178.9015 34 W 4.1420 7.7143 117.2277 59.0918 29.0604 178.4226 35 E 4.3659 8.4225 118.6760 58.6114 29.0215 177.7192 36 S 4.5611 7.8416 109.5987 56.8029 64.3698 174.1648 37 S 3.1025 8.0572 115.5550 60.1871 60.2845 170.9736 38 Y 3.6775 7.5580 113.4599 58.8819 35.4867 168.5520 39 N 5.2502 7.6377 119.1477 51.9071 39.7443 175.9037 40 T 3.9400 8.8734 117.4589 64.3637 69.0184 175.6365 41 Q 4.4709 8.0710 119.0541 55.5770 29.0814 175.5216 42 A 4.3781 7.8305 121.7146 52.3405 19.4464 177.2769 43 T 5.3240 8.1995 110.1890 59.2058 72.4170 173.0162 44 N 4.8280 8.1757 121.5475 52.2430 42.3395 172.9190 45 R 4.5578 8.6872 127.2173 56.1364 31.2071 175.2250 46 N 5.1329 9.6142 124.5984 51.4657 41.2070 176.2514 47 T 3.9211 8.6163 110.5535 64.4409 68.9143 174.7921 48 D 4.5275 8.0675 119.5718 53.3243 39.7920 177.0876 49 G 3.9410 8.2876 109.3646 45.1205 0.0000 173.8535 50 S 4.7482 8.3505 114.9399 57.8200 65.5088 173.3291 51 T 4.9418 8.9334 116.5993 61.9738 72.7366 172.6913 52 D 5.4413 8.8151 124.9242 53.2229 43.3693 175.1311 53 Y 4.9527 8.9515 120.1810 57.5524 41.9987 177.0259 54 G 4.1884 9.0021 112.1672 45.5332 0.0000 173.3537 55 I 3.8277 8.0467 116.3939 62.9979 37.9970 178.0150 56 F 4.9284 7.8986 115.6284 56.6501 39.9917 175.2246 57 Q 3.5657 7.7962 118.9280 57.0947 26.5756 174.0778 58 I 4.1947 8.0918 119.0454 61.1339 39.1382 176.8895 59 N 5.4154 9.1236 126.0673 53.4785 39.9205 175.4921 60 S 4.6386 9.1484 120.0715 60.1198 63.4731 175.2639 61 R 3.7646 8.9324 122.6163 58.8006 30.4952 177.5210 62 Y 3.9875 7.8389 115.0850 58.4293 39.9150 176.9628 63 W 4.8874 8.0586 118.4560 57.3273 31.1651 173.8255 64 C 5.5586 8.1335 112.1137 53.8051 45.2178 172.8651 65 D 4.9078 9.1430 120.4097 52.9266 41.8872 176.2128 66 D 4.7455 8.7451 123.9985 52.2805 40.2518 176.9356 67 G 3.9526 8.5571 107.6540 46.3281 0.0000 174.4182 68 R 4.5994 8.3035 113.3515 55.6063 30.4650 174.6798 69 T 4.5017 7.8265 115.4236 61.2949 69.9122 172.4820 70 P 4.3047 0.0000 0.0000 63.4840 32.1108 176.2216 71 G 3.7621 8.5498 109.2564 46.5326 0.0000 173.4978 72 A 4.4382 7.8717 120.8169 51.1985 19.6681 178.2285 73 K 4.1965 8.1718 118.9539 55.4394 34.7565 176.3333 74 N 4.1995 7.9740 116.1135 54.6517 36.8571 174.5598 75 V 3.6566 8.1237 119.4857 66.1025 32.3100 176.4812 76 C 4.5149 8.6139 115.9508 57.6289 40.3765 173.3705 77 G 3.8175 7.9997 107.9915 46.3745 0.0000 172.8383 78 I 4.7146 8.0067 110.8012 58.7216 41.6059 174.2244 79 R 4.6685 8.7284 119.6945 55.4779 30.9270 177.7626 80 C 4.1214 8.7897 120.1548 59.7165 35.1682 176.5458 81 S 3.9226 7.9539 115.6345 61.6251 62.0851 176.2566 82 Q 4.1713 7.8410 119.7845 57.6359 28.7164 177.3032 83 L 4.4740 8.0024 119.3726 54.9062 41.8829 177.3521 84 L 5.5791 7.8160 117.6022 53.9187 42.5242 176.9133 85 T 4.2510 7.6159 108.9385 61.1170 69.6280 174.3955 86 D 4.5000 8.6039 122.5347 57.3003 41.0905 176.9525 87 D 4.5321 7.9572 118.8692 54.0513 41.6460 176.3261 88 L 4.2525 8.5793 125.9224 55.9789 42.0177 178.7023 89 T 3.8265 7.7146 117.1706 67.0481 68.3849 176.1615 90 V 3.5773 7.7685 118.8413 65.7685 31.6837 177.6359 91 A 4.0959 8.0067 120.0679 55.3434 18.2243 179.4532 92 I 3.4825 8.2209 118.6078 64.4944 37.0534 178.5740 93 R 3.6978 7.7549 119.2977 59.6260 29.8466 177.7694 94 C 4.2534 8.4980 118.2134 59.5181 39.4501 175.2832 95 A 3.9023 8.3824 122.8301 55.0633 17.5865 179.7282 96 K 3.5316 7.6549 116.3999 59.3871 32.1472 179.2593 97 R 4.0617 7.6716 119.1107 59.2500 30.1417 178.6543 98 V 2.5541 7.5128 118.0667 65.7984 31.4096 178.2187 99 V 3.9496 7.8652 110.7404 63.2552 31.2035 178.0271 100 L 4.2469 7.6192 118.5104 56.0561 41.9313 177.0058 101 D 4.6919 7.4707 118.5816 53.0811 41.6457 175.3022 102 P 4.2177 0.0000 0.0000 66.2274 31.5655 177.8706 103 N 4.4816 8.2797 113.5155 53.5521 39.9161 176.2798 104 G 3.8864 8.1325 108.4431 47.3584 0.0000 175.9588 105 I 3.8425 7.8704 120.8398 62.6234 37.9904 177.5700 106 G 3.9669 7.5282 107.3620 47.4166 0.0000 174.6591 107 A 3.9132 7.7685 122.7960 53.9222 18.8530 178.2321 108 W 4.6478 8.1940 117.0683 55.4418 30.4248 177.4107 109 V 3.6965 8.6211 123.8623 66.1252 31.1528 177.7774 110 A 4.1498 8.3390 120.6271 54.7309 18.2118 179.4637 111 W 3.9716 8.3858 126.4935 60.7816 30.7225 178.1281 112 R 3.6850 7.9402 116.2904 59.0894 29.5729 178.6009 113 L 3.8626 7.6197 118.7399 58.0094 42.3479 177.8518 114 H 4.2432 7.6549 112.8263 55.8207 29.6735 174.9608 115 C 4.4639 7.1943 117.1193 57.6962 42.1801 174.1108 116 Q 3.2388 6.9193 120.6200 57.1863 28.5588 176.0983 117 N 4.2456 8.5713 120.6508 53.7333 36.2777 174.0169 118 Q 4.2800 7.4832 117.5737 54.3888 30.3084 174.8777 119 D 4.5944 8.4144 118.9749 53.8711 40.9401 175.5993 120 L 4.9586 8.3925 125.9056 54.7943 42.7891 178.5836 121 R 4.0330 8.3268 120.3484 59.6384 30.1186 178.7393 122 S 4.1836 8.1420 112.9130 61.4370 62.5925 175.8742 123 Y 4.2241 8.1058 119.6129 59.8400 38.0116 176.7089 124 V 4.3552 7.6951 110.4720 60.4712 32.9493 175.2938 125 A 4.1716 7.3878 123.3893 53.5237 18.4714 178.4190 126 G 3.9585 8.8647 110.0695 46.0504 0.0000 174.9503 127 C 4.3621 8.1180 116.8668 57.1060 40.6394 174.6432 128 G 3.9192 8.3192 106.4706 46.2560 0.0000 173.9154 129 V 4.0158 7.7655 118.0689 61.1278 32.1687 175.6634 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 K 8.17 4.19 0.00 1.91 1.77 0.00 1.40 0.00 0.00 1.44 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 1.16 7.81 2 V 8.23 4.51 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 0.91 0.00 0.00 0.95 0.00 0.00 3 Y 9.16 4.27 0.00 2.83 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 4 D 8.93 4.46 0.00 2.77 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 5 R 8.43 3.19 0.00 1.71 1.80 0.00 3.51 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 6 C 8.09 4.35 0.00 3.11 3.10 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 7 E 8.22 3.87 0.00 2.05 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 0.00 2.51 2.34 0.00 8 L 8.01 3.78 0.00 1.73 1.63 0.50 1.17 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 9 A 7.94 4.02 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 10 R 8.22 3.84 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 11 A 7.90 3.98 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 12 L 8.22 3.81 0.00 1.81 1.64 1.04 0.61 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 13 K 8.29 3.87 0.00 1.99 2.06 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.52 7.81 14 A 8.06 4.07 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 15 S 7.55 4.55 0.00 3.81 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 16 G 7.74 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 17 M 7.87 3.78 0.00 1.01 1.87 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 18 D 7.85 4.71 0.00 2.67 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 19 G 9.45 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 0.00 0.00 0.00 20 Y 8.26 3.95 0.00 3.23 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 21 A 8.86 3.25 1.31 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 0.00 0.00 22 G 8.43 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 0.00 0.00 0.00 23 N 7.89 4.64 0.00 3.07 2.15 0.00 0.00 6.78 7.63 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 24 S 8.30 4.84 0.00 4.06 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 25 L 9.38 4.18 0.00 2.01 1.84 1.06 1.14 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 26 P 0.00 4.43 0.00 2.28 2.45 0.00 3.67 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 2.20 2.29 0.00 27 N 7.99 4.37 0.00 2.60 2.40 0.00 0.00 6.91 8.75 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 28 W 7.80 4.13 0.00 3.53 3.18 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 0.00 29 V 8.04 3.80 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 1.33 0.00 0.00 1.13 0.00 0.00 30 C 8.05 3.43 0.00 1.97 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 31 L 7.86 4.07 0.00 2.07 2.08 0.60 -0.13 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 32 S 8.04 4.37 0.00 4.25 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 33 K 7.90 2.76 0.00 1.57 1.62 0.00 1.60 0.00 0.00 1.34 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.48 0.69 7.81 34 W 7.71 4.14 0.00 3.39 3.25 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 35 E 8.42 4.37 0.00 2.13 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 2.68 2.74 0.00 36 S 7.84 4.56 0.00 4.08 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 0.00 37 S 8.06 3.10 0.00 4.00 3.89 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 38 Y 7.56 3.68 0.00 3.25 3.10 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 N 7.64 5.25 0.00 2.84 2.85 0.00 0.00 6.98 7.10 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 40 T 8.87 3.94 4.38 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 1.43 0.00 0.00 41 Q 8.07 4.47 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.33 0.00 42 A 7.83 4.38 1.26 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 0.00 0.00 43 T 8.20 5.32 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 1.14 0.00 0.00 44 N 8.18 4.83 0.00 2.80 2.63 0.00 0.00 6.75 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 45 R 8.69 4.56 0.00 1.82 1.80 0.00 3.29 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 46 N 9.61 5.13 0.00 2.88 2.72 0.00 0.00 6.46 6.93 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 47 T 8.62 3.92 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 48 D 8.07 4.53 0.00 2.80 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 49 G 8.29 3.94 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 0.00 0.00 0.00 50 S 8.35 4.75 0.00 3.94 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 51 T 8.93 4.94 4.17 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 0.56 0.00 0.00 52 D 8.82 5.44 0.00 2.70 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 53 Y 8.95 4.95 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.00 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 55 I 8.05 3.83 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.34 -0.27 0.00 0.00 56 F 7.90 4.93 0.00 3.32 3.23 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 57 Q 7.80 3.57 0.00 2.53 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 58 I 8.09 4.19 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.97 1.09 0.00 0.00 59 N 9.12 5.42 0.00 3.06 3.05 0.00 0.00 6.98 7.67 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 60 S 9.15 4.64 0.00 4.05 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 3.76 0.00 1.65 1.06 0.00 2.85 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.24 0.00 62 Y 7.84 3.99 0.00 1.99 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 63 W 8.06 4.89 0.00 3.46 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 64 C 8.13 5.56 0.00 3.00 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 65 D 9.14 4.91 0.00 2.76 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 66 D 8.75 4.75 0.00 2.79 2.54 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 0.00 0.00 0.00 0.00 67 G 8.56 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 68 R 8.30 4.60 0.00 1.92 1.97 0.00 3.07 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 69 T 7.83 4.50 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 1.16 0.00 0.00 70 P 0.00 4.30 0.00 2.14 2.03 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 71 G 8.55 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 72 A 7.87 4.44 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 73 K 8.17 4.20 0.00 1.68 1.72 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.38 7.81 74 N 7.97 4.20 0.00 2.88 2.73 0.00 0.00 6.88 7.71 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 75 V 8.12 3.66 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 1.07 0.00 0.00 0.75 0.00 0.00 76 C 8.61 4.51 0.00 3.41 3.23 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 77 G 8.00 3.82 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 0.00 0.00 0.00 78 I 8.01 4.71 2.00 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 1.35 1.21 0.99 0.00 0.00 79 R 8.73 4.67 0.00 1.83 1.81 0.00 3.26 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 80 C 8.79 4.12 0.00 2.05 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 81 S 7.95 3.92 0.00 4.04 4.11 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 82 Q 7.84 4.17 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 83 L 8.00 4.47 0.00 1.93 1.81 1.04 0.49 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 L 7.82 5.58 0.00 1.85 1.76 1.13 1.14 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 85 T 7.62 4.25 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 86 D 8.60 4.50 0.00 2.71 2.78 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 87 D 7.96 4.53 0.00 2.64 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 88 L 8.58 4.25 0.00 1.73 1.62 0.62 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.71 3.83 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 1.20 0.00 0.00 90 V 7.77 3.58 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 1.15 0.00 0.00 0.94 0.00 0.00 91 A 8.01 4.10 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 92 I 8.22 3.48 1.79 0.00 0.00 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 1.39 0.82 0.64 0.00 0.00 93 R 7.75 3.70 0.00 1.90 2.12 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 94 C 8.50 4.25 0.00 3.06 3.22 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 95 A 8.38 3.90 0.72 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 0.00 0.00 96 K 7.65 3.53 0.00 1.53 1.28 0.00 1.26 0.00 0.00 0.80 0.00 0.00 2.23 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.87 7.81 97 R 7.67 4.06 0.00 1.89 2.09 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 98 V 7.51 2.55 1.78 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 -0.24 0.00 0.00 -0.80 0.00 0.00 99 V 7.87 3.95 2.41 0.00 0.00 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 1.42 0.00 0.00 100 L 7.62 4.25 0.00 1.77 1.79 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.47 4.69 0.00 3.11 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 0.00 102 P 0.00 4.22 0.00 2.03 2.15 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 103 N 8.28 4.48 0.00 2.71 2.83 0.00 0.00 7.01 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 0.00 104 G 8.13 3.89 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 0.00 0.00 0.00 105 I 7.87 3.84 1.09 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 -0.20 0.44 -0.89 0.00 0.00 106 G 7.53 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 0.00 107 A 7.77 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.19 4.65 0.00 3.71 3.26 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 0.00 109 V 8.62 3.70 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 1.10 0.00 0.00 1.00 0.00 0.00 110 A 8.34 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.39 3.97 0.00 3.40 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 0.00 112 R 7.94 3.68 0.00 2.07 1.99 0.00 3.33 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 113 L 7.62 3.86 0.00 1.59 1.41 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.65 4.24 0.00 2.52 1.83 0.00 5.86 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 0.00 115 C 7.19 4.46 0.00 2.11 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 0.00 116 Q 6.92 3.24 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.02 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 117 N 8.57 4.25 0.00 2.78 2.87 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 0.00 118 Q 7.48 4.28 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 119 D 8.41 4.59 0.00 2.63 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 0.00 120 L 8.39 4.96 0.00 1.85 1.84 0.96 1.04 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 0.00 121 R 8.33 4.03 0.00 1.86 2.03 0.00 3.33 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 122 S 8.14 4.18 0.00 3.91 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 0.00 123 Y 8.11 4.22 0.00 3.28 3.22 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 0.00 124 V 7.70 4.36 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 1.02 0.00 0.00 1.04 0.00 0.00 125 A 7.39 4.17 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 0.00 126 G 8.86 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 0.00 0.00 0.00 127 C 8.12 4.36 0.00 3.15 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 0.00 128 G 8.32 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 0.00 129 V 7.77 4.02 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 0.75 0.00 0.00 0.96 0.00 0.00