NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9769 8.3549 109.7360 44.8530 0.0000 174.4037 2 S 4.4193 7.5678 113.2239 55.0730 67.3290 173.4946 3 S 4.0927 9.2307 120.9612 60.9179 64.4176 174.9578 4 G 4.0405 7.9794 107.4733 46.6570 0.0000 173.1150 5 S 4.6964 7.7407 105.3726 57.6154 63.9435 174.3303 6 S 4.5958 7.8474 115.6096 57.9305 63.3254 172.9809 7 G 3.8831 8.6753 114.7268 46.5639 0.0000 171.9782 8 A 3.5788 8.1848 121.5214 52.7205 15.7460 177.9425 9 N 4.6701 8.0241 115.9296 54.3519 39.4313 174.4941 10 C 4.4071 8.3097 117.7277 59.5944 31.6860 173.7694 11 A 4.2990 7.7325 128.3348 52.5260 18.6432 177.1347 12 V 4.3028 7.8448 115.7895 64.3952 33.1865 176.2038 13 C 4.4249 8.0528 111.5355 57.4743 31.1788 172.4473 14 D 5.0196 8.3083 116.7212 55.3138 37.8965 173.1853 15 S 4.7292 7.5053 111.4205 55.7161 66.1258 172.4437 16 P 4.2341 0.0000 0.0000 65.3078 32.4072 178.8909 17 G 3.7796 7.3898 105.9825 46.0376 0.0000 174.5782 18 D 4.7755 8.3785 126.2231 52.7451 42.1064 176.9628 19 L 4.0534 8.5202 124.3922 57.7418 42.2459 178.3844 20 L 4.0087 7.8540 116.5756 57.9270 41.8662 178.2264 21 D 4.3243 8.1567 117.1428 57.2993 40.8537 177.0290 22 Q 4.2001 7.0745 114.1960 55.5465 29.8951 175.8878 23 F 4.1383 8.0829 119.6138 57.0450 40.6028 174.2714 24 F 5.5182 8.6109 121.7209 56.5909 41.7589 174.1247 25 C 4.4103 9.4257 127.6712 59.9134 32.2216 174.0042 26 T 4.0380 8.1146 112.2633 63.3263 69.6275 176.1462 27 T 3.9639 7.4671 118.2650 66.2238 69.0213 175.2287 28 C 4.1966 7.9012 116.1287 59.7259 30.4268 174.9052 29 G 4.0419 8.1587 106.7041 45.4748 0.0000 172.7173 30 Q 4.5731 7.9552 117.2055 54.4328 32.1075 174.4309 31 H 6.2051 7.6893 116.5113 53.7829 33.1437 173.1319 32 Y 4.9229 8.2843 117.7584 57.0944 42.3922 174.6141 33 H 4.5421 9.0567 121.8894 55.5424 29.8000 176.8275 34 G 3.8580 8.7241 108.5550 48.1361 0.0000 175.9926 35 M 4.1711 8.0310 120.3428 58.2374 32.0955 178.1585 36 C 4.2122 8.2626 115.4719 62.2861 28.4758 175.0888 37 L 4.5609 7.8196 116.5631 53.3343 42.1223 175.9136 38 D 4.4997 7.8551 117.7861 55.4357 38.9774 173.5986 39 I 4.3209 8.2763 118.0903 59.6966 38.9993 176.0049 40 A 4.4321 8.3833 126.9084 50.4548 18.6914 177.5285 41 V 3.9117 8.5825 123.0038 64.3254 31.9170 175.4436 42 T 4.8247 8.4422 116.2365 58.4913 71.6958 172.7755 43 P 4.5101 0.0000 0.0000 64.3735 31.3965 177.0891 44 L 4.4931 7.6593 119.8924 56.9035 42.9845 177.8513 45 K 4.0347 7.7853 117.3610 59.7326 32.1534 178.8976 46 R 4.3927 7.7303 116.7351 58.3967 30.1824 176.8163 47 A 4.1864 7.2906 121.7252 52.9515 18.5115 177.3562 48 G 3.8519 8.9266 112.9602 46.6189 0.0000 173.1786 49 W 4.4096 8.3383 128.3100 56.5350 31.7027 175.1567 50 Q 4.1065 7.0387 122.7684 53.5510 31.7703 175.0696 51 C 3.3007 7.8618 117.6624 57.1261 30.0931 172.6379 52 P 4.1768 0.0000 0.0000 64.0952 31.0007 176.6923 53 E 4.2831 7.6624 117.9128 57.3661 30.4759 176.4241 54 C 4.4309 7.6760 114.6318 60.3355 30.0140 174.5075 55 K 3.5610 7.8472 120.0976 57.1122 31.8854 175.7272 56 V 4.3587 7.7217 117.3131 59.0932 35.7385 174.4693 57 C 4.3826 8.1488 119.9928 58.8022 30.9479 173.6890 58 Q 4.3362 8.7378 125.5072 57.2498 28.6753 176.7596 59 N 4.6947 8.2310 115.8614 54.9055 39.4605 175.6847 60 C 4.5765 7.9094 109.2740 56.8684 32.0835 173.3570 61 K 3.8340 8.6124 118.8058 57.2098 28.8960 176.9410 62 Q 4.3288 7.6574 115.8488 54.1460 31.8427 175.5845 63 S 4.4352 8.7355 119.0772 57.6857 63.8716 173.3248 64 G 4.2340 8.2252 123.5056 46.7740 0.0000 174.4413 65 E 4.3206 7.3091 121.0430 54.9126 29.4809 178.0271 66 D 4.3524 8.2726 121.3652 57.8070 41.7744 178.0580 67 S 4.0829 8.2809 113.0408 61.8497 63.0816 176.7325 68 K 4.2691 7.6627 118.5806 57.2868 32.0087 176.5842 69 M 4.8368 7.6412 119.1519 53.5870 34.4171 175.0013 70 L 3.8477 8.6361 127.6027 54.1929 43.1517 176.4059 71 V 4.5925 7.9299 122.9852 60.9242 33.0880 174.6003 72 C 4.5602 8.5991 128.9800 60.4125 31.9732 173.3301 73 D 4.8125 8.3473 120.1566 54.6139 40.6892 176.7935 74 T 4.4847 7.1007 113.2417 65.1029 71.3845 175.2426 75 C 4.1869 7.8840 118.7824 59.5281 30.5468 173.0672 76 D 4.4882 8.0629 117.0788 55.2148 38.3241 173.0940 77 K 4.3308 7.6940 117.1195 54.3423 35.3400 176.7930 78 G 3.6337 7.8063 111.0462 45.6767 0.0000 172.2981 79 Y 4.8996 8.4359 122.0307 56.5315 42.6708 174.3232 80 H 5.0192 8.8120 122.1400 55.2343 29.5065 176.3693 81 T 3.7066 8.5452 113.7389 64.8452 68.3444 176.1262 82 F 4.3043 7.3474 115.0853 58.7871 38.2258 175.1848 83 C 4.6696 7.5812 118.7682 59.5635 28.3308 173.0798 84 L 4.6620 7.6601 119.0583 52.8745 43.7543 175.6534 85 Q 4.4840 8.2948 122.5287 53.3652 29.9900 173.2857 86 P 4.5551 0.0000 0.0000 61.9919 32.5378 175.9238 87 V 4.4385 7.9148 116.9425 62.2805 32.2057 176.1803 88 M 4.4518 8.3096 126.8040 53.2171 30.4568 176.1655 89 K 4.1603 8.0039 121.3785 58.9226 32.8225 176.3169 90 S 4.7395 7.6536 111.5386 56.7129 66.9170 172.6285 91 V 4.2236 7.9680 120.5947 60.3250 32.7551 173.6592 92 P 4.5331 0.0000 0.0000 62.7205 31.8054 176.3288 93 T 3.9741 8.1636 115.7634 65.6586 68.7679 173.9998 94 N 4.7853 7.8802 117.9665 53.7862 42.0977 172.8434 95 G 3.6447 8.7997 111.1109 45.4648 0.0000 172.3080 96 W 4.8511 8.6282 131.7330 55.6645 33.6047 174.5355 97 K 4.2723 6.8251 123.1194 53.7387 34.9146 175.9195 98 C 3.8819 7.5569 119.2758 56.5341 32.3335 174.6246 99 K 3.8091 8.0093 120.4236 59.5217 31.5394 178.2585 100 N 4.4512 7.9746 115.2079 55.5038 38.7174 176.3564 101 C 4.3458 7.2612 118.8671 61.9746 28.7440 175.9589 102 R 4.0265 7.8706 116.5495 57.9058 28.6601 175.9905 103 I 3.4609 6.9273 118.9976 61.5368 36.9045 175.3917 104 C 4.3598 8.3509 122.9771 59.1495 28.7338 174.5159 105 I 4.0712 7.9600 122.4025 60.6576 35.1980 175.0604 106 S 4.5037 8.6717 118.3502 55.9574 65.5345 173.5836 107 G 4.1407 8.8346 109.5665 42.2331 0.0000 172.6828 108 P 4.3978 0.0000 0.0000 62.1778 29.1714 174.6509 109 S 4.1010 8.3525 121.2011 59.4134 62.7542 174.0859 110 S 4.7324 8.4081 119.9574 56.1155 65.5220 174.4617 111 G 3.7336 8.4220 108.0902 45.8320 0.0000 173.7061 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 G 8.35 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 0.00 0.00 0.00 2 S 7.57 4.42 0.00 3.89 3.73 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 3 S 9.23 4.09 0.00 3.97 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 4 G 7.98 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 5 S 7.74 4.70 0.00 3.93 3.90 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 6 S 7.85 4.60 0.00 3.84 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 7 G 8.68 3.88 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 0.00 0.00 0.00 8 A 8.18 3.58 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 9 N 8.02 4.67 0.00 2.67 2.77 0.00 0.00 7.00 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 10 C 8.31 4.41 0.00 3.00 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 11 A 7.73 4.30 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 12 V 7.84 4.30 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 0.94 0.00 0.00 1.26 0.00 0.00 13 C 8.05 4.42 0.00 3.14 3.09 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 0.00 0.00 0.00 14 D 8.31 5.02 0.00 2.83 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 15 S 7.51 4.73 0.00 3.84 3.66 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 16 P 0.00 4.23 0.00 2.22 2.17 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 17 G 7.39 3.78 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 0.00 18 D 8.38 4.78 0.00 2.75 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 L 8.52 4.05 0.00 1.56 1.60 0.82 1.03 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 20 L 7.85 4.01 0.00 1.54 1.62 0.84 0.95 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 21 D 8.16 4.32 0.00 2.57 2.64 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 0.00 0.00 0.00 22 Q 7.07 4.20 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.24 0.00 23 F 8.08 4.14 0.00 1.51 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 24 F 8.61 5.52 0.00 2.98 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 25 C 9.43 4.41 0.00 3.14 2.84 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 26 T 8.11 4.04 4.26 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 1.28 0.00 0.00 27 T 7.47 3.96 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 1.17 0.00 0.00 28 C 7.90 4.20 0.00 3.09 3.04 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 29 G 8.16 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 30 Q 7.96 4.57 0.00 2.25 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 31 H 7.69 6.21 0.00 3.21 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.28 4.92 0.00 3.20 2.99 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 33 H 9.06 4.54 0.00 3.33 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.72 3.86 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 0.00 0.00 0.00 35 M 8.03 4.17 0.00 2.08 2.15 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 2.69 2.59 0.00 36 C 8.26 4.21 0.00 3.27 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 37 L 7.82 4.56 0.00 1.96 1.78 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.86 4.50 0.00 2.86 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 39 I 8.28 4.32 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.93 0.00 0.00 40 A 8.38 4.43 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 41 V 8.58 3.91 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 0.70 0.00 0.00 0.85 0.00 0.00 42 T 8.44 4.82 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 1.32 0.00 0.00 43 P 0.00 4.51 0.00 2.27 2.23 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 44 L 7.66 4.49 0.00 1.80 1.73 0.96 0.79 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 45 K 7.79 4.03 0.00 1.96 2.12 0.00 2.05 0.00 0.00 1.76 0.00 0.00 3.30 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.74 7.81 46 R 7.73 4.39 0.00 1.80 2.09 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.98 0.00 47 A 7.29 4.19 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 48 G 8.93 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 0.00 0.00 0.00 49 W 8.34 4.41 0.00 3.71 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 50 Q 7.04 4.11 0.00 1.65 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.67 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 51 C 7.86 3.30 0.00 2.70 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 52 P 0.00 4.18 0.00 2.01 1.98 0.00 3.16 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 53 E 7.66 4.28 0.00 1.92 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 2.08 2.25 0.00 54 C 7.68 4.43 0.00 2.78 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 55 K 7.85 3.56 0.00 1.36 1.57 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 1.17 7.81 56 V 7.72 4.36 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 0.85 0.00 0.00 0.88 0.00 0.00 57 C 8.15 4.38 0.00 2.51 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 58 Q 8.74 4.34 0.00 2.35 2.23 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 2.36 2.40 0.00 59 N 8.23 4.69 0.00 2.71 2.87 0.00 0.00 6.78 7.44 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 60 C 7.91 4.58 0.00 3.13 3.13 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 61 K 8.61 3.83 0.00 1.89 1.93 0.00 1.55 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 62 Q 7.66 4.33 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 63 S 8.74 4.44 0.00 3.95 3.86 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 64 G 8.23 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 65 E 7.31 4.32 0.00 1.99 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 0.00 2.38 2.24 0.00 66 D 8.27 4.35 0.00 2.71 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 67 S 8.28 4.08 0.00 3.88 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 68 K 7.66 4.27 0.00 2.00 1.92 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.52 7.81 69 M 7.64 4.84 0.00 2.04 2.04 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 2.29 2.27 0.00 70 L 8.64 3.85 0.00 0.64 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.93 4.59 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 0.67 0.00 0.00 0.77 0.00 0.00 72 C 8.60 4.56 0.00 3.26 3.04 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 73 D 8.35 4.81 0.00 2.80 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 74 T 7.10 4.48 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 1.23 0.00 0.00 75 C 7.88 4.19 0.00 3.12 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 76 D 8.06 4.49 0.00 2.83 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 77 K 7.69 4.33 0.00 1.64 1.05 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.48 7.81 78 G 7.81 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 79 Y 8.44 4.90 0.00 2.89 2.71 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 0.00 0.00 0.00 0.00 80 H 8.81 5.02 0.00 2.10 1.31 0.00 5.94 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.55 3.71 4.46 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 1.08 0.00 0.00 82 F 7.35 4.30 0.00 3.19 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 83 C 7.58 4.67 0.00 2.85 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 84 L 7.66 4.66 0.00 1.87 1.73 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.29 4.48 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 86 P 0.00 4.56 0.00 2.24 2.09 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 87 V 7.91 4.44 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 1.28 0.00 0.00 1.10 0.00 0.00 88 M 8.31 4.45 0.00 2.21 1.95 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 2.63 2.75 0.00 89 K 8.00 4.16 0.00 1.76 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.48 7.81 90 S 7.65 4.74 0.00 3.80 3.74 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 91 V 7.97 4.22 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 0.73 0.00 0.00 0.83 0.00 0.00 92 P 0.00 4.53 0.00 2.32 2.15 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 93 T 8.16 3.97 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 94 N 7.88 4.79 0.00 2.64 2.66 0.00 0.00 7.06 8.01 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 95 G 8.80 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 96 W 8.63 4.85 0.00 3.29 3.11 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 97 K 6.83 4.27 0.00 1.44 1.22 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.07 1.25 7.81 98 C 7.56 3.88 0.00 3.02 2.99 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 99 K 8.01 3.81 0.00 1.70 1.69 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 100 N 7.97 4.45 0.00 2.71 2.86 0.00 0.00 6.82 7.59 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 0.00 101 C 7.26 4.35 0.00 3.16 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 0.00 102 R 7.87 4.03 0.00 1.83 2.00 0.00 3.16 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 103 I 6.93 3.46 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.89 0.00 0.00 104 C 8.35 4.36 0.00 2.94 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 0.00 105 I 7.96 4.07 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 1.46 0.46 0.91 0.00 0.00 106 S 8.67 4.50 0.00 3.90 3.78 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 0.00 107 G 8.83 4.14 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 0.00 0.00 0.00 108 P 0.00 4.40 0.00 2.19 2.11 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 1.98 1.98 0.00 109 S 8.35 4.10 0.00 3.88 3.88 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 0.00 110 S 8.41 4.73 0.00 3.95 3.86 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 0.00 111 G 8.42 3.73 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 0.00 0.00 0.00