NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4398 8.3349 115.4129 58.0326 64.2976 173.6328 2 K 4.0887 7.7370 119.0231 57.1207 33.2576 176.1289 3 T 4.2489 8.4411 117.4520 65.2959 70.9627 175.6716 4 N 4.4051 7.9295 120.4021 53.0861 39.9083 173.8192 5 P 4.3379 0.0000 0.0000 65.2073 31.5031 179.0862 6 R 3.8682 8.6570 117.8050 59.2122 30.1774 178.5174 7 L 3.9995 8.1043 119.5947 58.1291 41.9467 178.7667 8 S 4.0718 7.9653 112.7176 61.6650 62.3199 176.4650 9 S 4.1268 8.0653 117.8069 61.2551 62.5089 176.2813 10 L 3.8720 8.3289 123.5451 58.4036 41.8928 179.1597 11 I 3.7205 7.8516 119.3056 64.4051 37.0216 178.3492 12 A 4.0527 7.8012 121.1884 55.0844 18.2303 179.5061 13 D 4.2777 8.2629 117.8336 57.4514 41.0261 178.8414 14 L 3.9018 8.3164 119.9317 57.6696 41.4410 179.7437 15 K 3.9896 8.0046 118.0337 59.4767 32.0701 179.0414 16 S 4.0298 8.1812 113.0539 61.7197 62.2947 176.5768 17 A 3.9900 8.0592 122.6832 55.2259 18.0379 179.3613 18 A 4.6927 7.7214 118.9432 54.8150 18.4214 179.9248 19 R 4.0822 8.1159 115.8832 60.1778 30.4905 178.7110 20 S 4.1662 8.3592 114.4993 62.7780 63.1235 178.3094 21 S 4.4340 8.4632 121.0417 58.8023 63.8042 174.5674 22 G 3.9569 8.5494 109.6437 45.6376 0.0000 174.3464 23 G 3.6588 7.9958 109.4102 45.2846 0.0000 174.0941 24 A 4.5067 8.0936 123.3793 52.5577 21.6736 179.0311 25 V 3.5076 7.4367 109.0598 64.2922 31.4723 178.4541 26 W 4.9184 7.7301 118.3491 60.0842 28.9379 178.6027 27 G 3.7515 8.1976 104.8114 47.2310 0.0000 175.2885 28 D 4.3290 8.0224 120.6994 57.3934 41.3330 178.4936 29 V 3.6488 8.7072 118.9712 65.6959 31.4837 177.9009 30 A 4.0306 8.1372 120.8798 55.2318 18.0214 179.5108 31 E 3.9821 7.8775 115.6901 59.3274 29.6302 179.1934 32 R 4.0946 7.7437 119.0906 59.1653 29.9524 178.4940 33 L 3.7654 7.8122 118.1100 57.5616 41.6455 178.9916 34 E 4.1567 8.0272 117.8998 58.0988 29.5323 177.5902 35 K 4.3231 7.1009 117.8014 54.7597 33.1688 174.7984 36 P 4.3208 0.0000 0.0000 62.9772 31.9652 178.0857 37 R 3.4426 8.5574 120.4484 59.1192 30.2205 179.3530 38 R 3.9492 7.9206 113.4506 58.9646 29.4094 177.6289 39 T 4.1508 7.6668 107.4430 63.1740 69.3841 174.8309 40 H 4.3064 7.7979 119.1303 55.8617 29.4399 174.4086 41 A 4.3582 8.0768 122.2433 51.8062 19.9443 176.8044 42 E 4.8141 8.7462 120.3921 54.5285 31.6555 174.5850 43 V 4.4381 8.7053 124.6155 60.9990 34.3453 174.4714 44 N 5.3145 8.4684 123.8586 51.3379 40.7024 175.9690 45 L 4.0737 8.8260 121.0611 58.3407 41.3814 179.9655 46 G 3.8041 7.9139 105.1611 48.0539 0.0000 175.3885 47 R 4.1649 8.1157 120.4049 58.9958 30.1867 178.5918 48 I 3.8205 7.6227 119.3879 64.2536 36.9861 177.6641 49 E 3.9375 8.2165 119.4402 59.3977 29.4822 178.6389 50 R 3.8684 7.3915 116.5121 58.4091 30.1280 176.5006 51 Y 4.7151 7.4956 112.6400 57.4180 39.0005 175.1943 52 A 4.7358 7.9350 123.4237 50.8438 20.9144 177.0947 53 Q 4.6060 8.1014 116.4256 53.8566 31.7568 174.7418 54 E 4.0881 8.7831 119.7717 58.2359 29.9630 176.2975 55 D 4.3823 8.8561 119.1216 55.0621 38.2597 173.9373 56 E 4.6362 7.7939 119.3137 54.8054 31.8899 174.6566 57 T 4.1532 8.5178 124.4687 64.0497 69.8661 173.7323 58 V 4.3613 8.7864 127.3572 62.4066 33.0292 174.7922 59 V 4.7083 8.9784 129.3993 61.4274 33.2229 174.5604 60 V 4.8518 9.0252 130.2020 59.3808 32.3567 174.5930 61 P 4.6255 0.0000 0.0000 60.8952 30.7900 175.1388 62 G 4.1590 7.2489 117.8768 47.3272 0.0000 175.7760 63 K 5.0204 9.6677 127.5669 54.1644 35.7889 173.7348 64 V 4.6333 8.1877 126.4572 61.7125 33.3939 174.7682 65 L 5.0057 9.6653 128.0018 52.6032 45.1520 176.6854 66 G 4.1146 8.5291 106.6696 46.8632 0.0000 173.9506 67 S 4.4042 8.1792 117.6945 59.1857 64.2898 175.4454 68 G 4.1050 8.9832 110.4247 44.6873 0.0000 172.2313 69 V 4.3786 7.9278 116.7810 60.6299 34.0109 174.5740 70 L 4.8405 8.4788 127.4045 53.5613 43.8954 175.5143 71 Q 4.4651 9.8662 126.1097 56.8263 30.4740 176.9590 72 K 4.0239 8.1918 116.1372 56.9263 32.9608 176.9539 73 D 5.5568 8.3294 123.3493 52.6447 39.5836 174.9667 74 V 4.6365 7.6276 114.9312 59.5220 35.9553 175.4644 75 T 4.7476 8.3714 119.7944 62.5161 69.9779 173.7254 76 V 4.8261 8.8035 127.7907 61.3797 33.6863 174.3702 77 A 5.9400 9.8811 129.5247 49.5544 21.3744 174.9106 78 A 5.0441 8.3829 122.5614 49.2285 22.9452 176.7846 79 V 3.5512 8.2666 119.0278 66.2280 32.1039 175.6517 80 D 4.6611 7.2016 116.5194 53.4827 44.3704 174.3222 81 F 5.4573 8.8751 120.7730 55.3774 42.8511 175.1916 82 S 4.3655 8.9733 116.4654 57.9600 63.9422 175.4268 83 G 3.7444 8.9229 107.5898 48.5553 0.0000 176.1246 84 T 3.9368 7.9025 117.2214 66.1466 68.5198 176.4049 85 A 4.0194 8.2340 122.8381 55.4445 18.3779 179.1800 86 E 3.6306 8.3800 117.3378 59.6039 29.2831 179.5005 87 T 3.8794 7.3003 114.8210 66.6016 68.8422 176.6501 88 K 4.2145 8.3128 120.6560 59.5540 31.9531 179.5700 89 I 3.7933 7.9672 120.0245 64.5470 36.9976 178.0899 90 D 4.8767 7.4151 118.8204 56.0602 40.6554 178.3224 91 Q 4.2302 7.5623 116.8658 57.6072 29.1488 176.7728 92 V 4.5239 7.3272 109.7653 60.5636 34.5966 174.4408 93 G 4.5510 8.2209 110.3456 45.2136 0.0000 172.9540 94 E 5.0179 9.1637 124.4201 54.5236 33.3341 174.3180 95 A 4.8115 8.8495 129.2368 50.6639 20.2275 176.5008 96 V 4.6112 9.2479 122.3757 60.8806 35.6753 174.9842 97 S 5.0759 8.6001 119.9311 57.5423 64.2887 175.2422 98 L 3.8570 8.2197 122.9779 58.0569 40.8610 179.9338 99 E 3.8265 7.7548 117.4162 59.2043 29.2449 179.3503 100 Q 3.8761 8.2596 118.1959 58.6132 28.9086 178.0407 101 A 4.0344 7.9340 121.3068 55.5836 18.1908 179.5952 102 I 3.0179 7.2083 116.5696 63.8866 37.0145 177.8914 103 E 4.1459 7.1810 119.1746 58.9693 29.8435 177.8862 104 N 4.6306 8.3988 114.7947 54.8345 40.2475 175.4319 105 N 5.1540 8.3372 119.0291 51.8311 39.9788 173.1136 106 P 4.8260 0.0000 0.0000 65.6497 31.7954 177.9730 107 E 4.1816 8.5263 117.1284 56.3005 30.3372 175.8767 108 G 3.5969 8.2242 108.1338 46.3426 0.0000 172.5311 109 S 4.5948 8.2569 111.5066 57.2653 66.5187 174.0202 110 H 4.0209 8.3568 115.3658 57.3228 26.0755 174.7606 111 V 4.8611 7.4524 115.9230 59.8086 34.7252 175.7531 112 R 4.5257 8.9924 124.1296 54.3896 32.3822 174.7236 113 V 4.4015 8.3934 127.0500 62.8818 32.4793 175.1455 114 I 4.7741 8.8051 128.0538 59.4165 41.1514 175.8944 115 R 4.1689 8.4009 121.9102 56.3994 29.5179 174.8324 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 S 8.33 4.44 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 2 K 7.74 4.09 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.44 4.25 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 1.21 0.00 0.00 4 N 7.93 4.41 0.00 2.75 2.71 0.00 0.00 7.22 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 5 P 0.00 4.34 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.66 3.87 0.00 1.88 1.96 0.00 3.14 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 1.64 1.78 0.00 7 L 8.10 4.00 0.00 1.75 1.67 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.97 4.07 0.00 4.16 4.03 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 9 S 8.07 4.13 0.00 4.02 3.87 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 10 L 8.33 3.87 0.00 1.67 1.89 0.87 1.00 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 11 I 7.85 3.72 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 1.45 0.93 0.91 0.00 0.00 12 A 7.80 4.05 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 13 D 8.26 4.28 0.00 2.76 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 14 L 8.32 3.90 0.00 1.82 1.96 0.91 0.47 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 15 K 8.00 3.99 0.00 2.01 1.86 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.68 7.81 16 S 8.18 4.03 0.00 3.89 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 17 A 8.06 3.99 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.72 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.12 4.08 0.00 1.81 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 20 S 8.36 4.17 0.00 3.88 3.84 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 21 S 8.46 4.43 0.00 4.26 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 22 G 8.55 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 23 G 8.00 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 0.00 0.00 0.00 24 A 8.09 4.51 1.20 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 0.00 0.00 25 V 7.44 3.51 1.71 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 0.60 0.00 0.00 -0.46 0.00 0.00 26 W 7.73 4.92 0.00 3.33 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 27 G 8.20 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 0.00 0.00 0.00 28 D 8.02 4.33 0.00 3.06 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 29 V 8.71 3.65 2.28 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 1.01 0.00 0.00 1.17 0.00 0.00 30 A 8.14 4.03 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 31 E 7.88 3.98 0.00 2.12 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 0.00 2.35 2.33 0.00 32 R 7.74 4.09 0.00 1.86 2.03 0.00 3.33 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.81 3.77 0.00 1.65 1.67 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.03 4.16 0.00 2.20 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 2.36 2.43 0.00 35 K 7.10 4.32 0.00 1.96 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.63 7.81 36 P 0.00 4.32 0.00 2.15 1.96 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.56 3.44 0.00 1.79 1.89 0.00 3.11 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 38 R 7.92 3.95 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.67 4.15 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 1.21 0.00 0.00 40 H 7.80 4.31 0.00 3.29 3.26 0.00 5.67 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 41 A 8.08 4.36 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.75 4.81 0.00 1.81 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 2.19 2.27 0.00 43 V 8.71 4.44 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.47 5.31 0.00 2.71 2.96 0.00 0.00 7.60 6.74 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 45 L 8.83 4.07 0.00 1.83 1.76 0.95 0.87 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 46 G 7.91 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 0.00 0.00 0.00 47 R 8.12 4.16 0.00 1.98 2.12 0.00 3.16 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 48 I 7.62 3.82 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.55 0.97 0.00 0.00 49 E 8.22 3.94 0.00 1.99 2.13 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 2.41 2.33 0.00 50 R 7.39 3.87 0.00 1.75 1.56 0.00 2.39 0.00 0.00 2.83 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.26 0.00 51 Y 7.50 4.72 0.00 2.90 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 52 A 7.93 4.74 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 53 Q 8.10 4.61 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 54 E 8.78 4.09 0.00 1.98 1.95 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 2.53 2.36 0.00 55 D 8.86 4.38 0.00 2.82 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 56 E 7.79 4.64 0.00 2.01 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 2.24 2.31 0.00 57 T 8.52 4.15 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 1.38 0.00 0.00 58 V 8.79 4.36 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 8.98 4.71 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 1.04 0.00 0.00 1.15 0.00 0.00 60 V 9.03 4.85 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 1.12 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.63 0.00 2.13 2.23 0.00 3.93 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 7.25 4.16 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 0.00 63 K 9.67 5.02 0.00 1.69 1.55 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.37 7.81 64 V 8.19 4.63 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 1.06 0.00 0.00 0.74 0.00 0.00 65 L 9.67 5.01 0.00 1.72 1.52 0.93 0.76 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 66 G 8.53 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 0.00 0.00 0.00 67 S 8.18 4.40 0.00 3.94 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 68 G 8.98 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 0.00 0.00 0.00 69 V 7.93 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.48 4.84 0.00 1.60 1.52 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.87 4.47 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 72 K 8.19 4.02 0.00 1.75 1.76 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.83 7.81 73 D 8.33 5.56 0.00 2.81 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 V 7.63 4.64 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 0.77 0.00 0.00 1.01 0.00 0.00 75 T 8.37 4.75 4.29 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 1.27 0.00 0.00 76 V 8.80 4.83 2.31 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 1.14 0.00 0.00 1.03 0.00 0.00 77 A 9.88 5.94 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 78 A 8.38 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.27 3.55 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.20 4.66 0.00 2.77 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 81 F 8.88 5.46 0.00 2.85 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 82 S 8.97 4.37 0.00 3.95 4.03 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 83 G 8.92 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 0.00 0.00 0.00 84 T 7.90 3.94 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 85 A 8.23 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.38 3.63 0.00 1.97 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 2.18 2.05 0.00 87 T 7.30 3.88 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 1.20 0.00 0.00 88 K 8.31 4.21 0.00 1.91 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 89 I 7.97 3.79 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.90 0.00 0.00 90 D 7.42 4.88 0.00 2.54 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 91 Q 7.56 4.23 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 92 V 7.33 4.52 2.23 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 0.76 0.00 0.00 0.99 0.00 0.00 93 G 8.22 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.16 5.02 0.00 2.01 1.74 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 2.16 2.21 0.00 95 A 8.85 4.81 0.56 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 0.00 0.00 96 V 9.25 4.61 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 1.09 0.00 0.00 0.94 0.00 0.00 97 S 8.60 5.08 0.00 4.19 4.03 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 98 L 8.22 3.86 0.00 1.63 1.61 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.75 3.83 0.00 2.08 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 2.32 0.00 100 Q 8.26 3.88 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.93 4.03 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 0.00 102 I 7.21 3.02 1.54 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.03 0.63 0.00 0.00 103 E 7.18 4.15 0.00 1.75 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 0.00 2.29 2.32 0.00 104 N 8.40 4.63 0.00 2.76 2.90 0.00 0.00 6.80 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 0.00 105 N 8.34 5.15 0.00 2.89 3.03 0.00 0.00 6.77 7.32 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 0.00 106 P 0.00 4.83 0.00 2.31 2.33 0.00 3.90 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.53 4.18 0.00 2.14 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 2.41 2.39 0.00 108 G 8.22 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 0.00 109 S 8.26 4.59 0.00 3.94 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 0.00 110 H 8.36 4.02 0.00 3.33 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.45 4.86 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 0.44 0.00 0.00 0.86 0.00 0.00 112 R 8.99 4.53 0.00 2.15 1.81 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 113 V 8.39 4.40 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 0.00 114 I 8.81 4.77 1.90 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 1.48 1.00 0.96 0.00 0.00 115 R 8.40 4.17 0.00 1.84 1.80 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00