NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7052 8.4093 119.2067 53.6487 40.1916 173.9241 5 I 4.0214 8.1462 117.6914 60.6979 39.2202 173.2586 6 L 5.2972 9.4305 127.3143 53.7669 45.8207 176.2638 7 S 5.2964 9.1520 121.8034 56.9197 66.7052 173.5602 8 V 5.0820 8.9378 115.5360 59.0281 36.0723 174.1339 9 H 5.4372 8.4262 116.2323 54.6295 32.3958 171.9742 10 I 4.7746 8.6859 119.9153 59.4138 40.4251 174.1578 11 L 4.8198 8.6434 129.4905 53.0517 44.4699 174.7211 12 N 5.0114 9.0177 126.3483 53.5279 39.2326 175.3818 13 Q 4.3097 9.2222 126.3318 57.7813 28.6997 177.6338 14 Q 4.2974 8.8470 118.3453 57.3469 29.2269 176.6681 15 T 4.3815 8.1264 105.5725 60.3764 70.4207 174.8087 16 G 3.9984 8.3391 109.5485 46.2709 0.0000 173.1231 17 K 4.8104 7.6605 117.2300 53.2251 36.5978 174.3198 18 P 4.7547 0.0000 0.0000 62.8423 32.2113 176.4326 19 A 4.4037 8.6639 124.6780 50.7562 19.4229 176.3407 20 A 4.3753 8.5027 123.1068 52.0644 20.6774 175.8924 21 D 4.3139 8.4113 117.5216 55.3716 40.3128 173.7480 22 V 4.2624 7.6514 117.7726 60.9982 33.3025 175.0844 23 T 4.3962 8.5215 125.0680 63.8200 69.8044 173.3634 24 V 4.7406 9.0415 125.9876 61.2762 34.8669 174.5143 25 T 4.8782 8.3834 117.7197 60.0624 71.9150 173.0833 26 L 5.1912 8.4709 124.0349 53.4313 45.2481 175.1001 27 E 5.1918 9.2514 124.5704 54.4715 34.3267 174.2424 28 K 4.6217 9.0505 123.4399 54.1547 34.7835 175.3118 29 K 3.2540 8.1915 129.1085 56.2099 32.4985 176.0442 30 A 4.5682 7.6272 130.1546 49.8621 21.7505 175.7549 31 D 4.4063 8.6383 117.9674 57.0374 40.8019 177.5146 32 N 4.7921 7.5603 114.7406 51.9675 42.0596 175.4843 33 G 3.7819 8.5348 112.3451 45.7665 0.0000 171.8108 34 W 5.1943 8.6555 120.3011 54.6574 33.2909 174.0111 35 L 4.7950 8.7095 120.9898 53.2975 44.5491 175.2046 36 Q 4.4838 8.8589 127.9045 56.3065 29.1585 175.2127 37 L 4.3910 8.6825 126.1782 56.3298 43.4543 175.9236 38 N 4.5734 7.5437 114.3675 53.3222 42.3161 173.0700 39 T 5.1462 8.2433 115.5274 60.9472 70.8722 172.1291 40 A 4.6190 8.6561 127.9222 51.2855 23.5034 174.7549 41 K 5.1491 8.2940 117.8098 54.4573 35.2647 177.0248 42 T 4.2408 8.6377 114.5870 62.1175 70.1146 174.4929 43 D 5.1283 8.7855 124.2536 52.1833 41.6129 176.8128 44 K 3.9869 8.5612 117.0558 59.6554 32.6190 177.0553 45 D 4.6432 8.3083 118.3324 53.6864 41.0215 176.5052 46 G 3.9378 8.3461 107.1037 46.4044 0.0000 173.7195 47 R 5.0120 8.3719 118.2189 54.0341 32.5992 175.6987 48 I 4.6964 8.4665 122.1036 59.3710 38.3472 176.7552 49 K 4.0667 8.6881 125.8657 58.6467 32.2506 177.8028 50 A 4.8790 7.4607 120.2866 50.3791 18.9022 174.6305 51 L 4.2292 8.9311 123.1114 55.8263 43.0291 177.3412 52 W 3.9561 8.3449 128.6433 56.2330 31.1765 173.9531 53 P 4.5295 0.0000 0.0000 62.5703 32.2070 176.6270 54 E 4.4842 8.3322 117.5579 54.6121 27.8026 176.0426 55 Q 4.7338 7.5462 117.1487 54.4421 33.4621 175.0657 56 T 4.0494 8.4668 111.7254 61.5103 69.6499 174.1720 57 A 4.6682 8.2481 127.3449 51.7849 19.7561 176.6299 58 T 4.7413 7.8119 109.0961 59.3961 71.2611 174.7760 59 T 4.0729 8.3865 112.9610 62.0423 69.4512 174.5714 60 G 3.9320 7.6665 109.7458 44.2435 0.0000 171.5712 61 D 5.1618 7.8363 119.2269 53.6758 42.8296 175.6232 62 Y 5.2572 8.7101 118.5097 56.6145 43.3612 174.1834 63 R 4.9297 9.0057 120.3582 55.1833 33.5921 174.0212 64 V 4.6262 8.8383 119.8838 59.8437 34.3540 175.2439 65 V 4.5832 8.0507 123.8051 61.0766 34.2111 174.3142 66 F 4.5734 9.0139 128.3342 56.4808 40.0277 176.6787 67 K 4.3042 8.8282 127.2006 55.8232 28.9963 177.5460 68 T 4.1296 7.8434 113.3089 63.7091 69.6275 177.1244 69 G 4.1782 8.1959 109.8597 47.4463 0.0000 175.1206 70 D 4.3985 8.1495 121.2268 56.9296 41.0332 178.0557 71 Y 4.0681 7.6286 119.5593 60.9000 38.7518 178.3703 72 F 4.1939 8.2417 118.6258 60.2907 39.0225 177.5087 73 K 3.9191 8.4591 119.5664 59.6522 31.6895 178.9806 74 K 4.0817 7.8750 117.8585 59.0547 32.0368 178.4530 75 Q 4.1908 7.3004 114.6229 55.2764 28.8703 175.4510 76 N 4.3278 8.0212 116.3842 54.4275 36.6853 173.9088 77 L 4.7942 7.9523 116.5132 52.9686 44.3829 176.5611 78 E 4.4852 8.4095 121.2020 55.7174 30.9717 175.6169 79 S 3.8464 7.7572 113.5195 56.4158 65.4106 174.1075 80 F 4.2954 7.5575 127.9145 60.0702 39.2404 175.3491 81 F 4.8802 7.1543 119.8662 54.6276 40.4363 174.0086 82 P 4.4008 0.0000 0.0000 65.7233 31.3853 175.3758 83 E 4.9780 7.5141 113.7899 55.6845 32.4612 175.2815 84 I 4.3484 8.6521 120.7478 58.7052 39.6267 173.2849 85 P 4.8762 0.0000 0.0000 62.1935 32.8358 175.9096 86 V 4.4861 9.1446 122.2503 61.3687 34.4838 173.7564 87 E 5.3808 9.0582 127.7681 55.1881 31.0434 175.3467 88 F 5.1818 9.0877 118.1613 55.8018 42.2618 172.3766 89 H 5.3537 9.1092 118.9292 54.5299 32.0377 172.9231 90 I 4.2797 8.5416 126.8326 59.7476 38.2312 175.9600 91 N 4.7051 9.1730 123.4593 52.2107 39.3614 174.4923 92 K 4.5645 7.9258 119.1519 54.5050 33.9647 177.3215 93 V 3.7050 8.5165 117.6380 63.2033 31.8241 176.7908 94 N 4.8273 7.9422 115.3796 52.7121 39.0717 174.0622 95 E 4.1405 7.6165 119.6420 55.7166 30.4909 175.0658 96 H 4.6491 8.1909 122.2735 55.4637 31.0643 173.6759 97 Y 4.5124 8.8260 123.2719 56.2819 40.9727 174.1105 98 H 5.0966 8.6731 122.8472 54.5799 33.1105 171.9967 99 V 4.3231 8.6000 126.5026 60.3074 32.1550 172.9862 100 P 4.4216 0.0000 0.0000 61.5005 33.2852 174.5646 101 L 4.6208 8.3720 123.3537 53.2440 45.0811 175.0275 102 L 4.9582 8.9275 127.1323 53.2782 43.4691 175.1370 103 L 5.0925 8.8968 126.8050 53.3783 45.0816 175.4354 104 S 5.3339 9.2234 120.9092 56.6417 67.4055 175.2421 105 Q 3.2745 9.5768 120.0947 58.6094 28.3785 178.1105 106 Y 4.5438 7.7525 112.1725 56.8725 39.3921 174.9466 107 G 4.4218 8.2737 106.4779 45.3797 0.0000 172.2730 108 Y 5.4364 7.7651 117.4594 55.9631 41.1424 173.8720 109 S 4.9167 9.2561 115.2377 57.2683 67.1637 173.2546 110 T 5.1071 8.6560 115.7784 60.4871 70.6764 171.6893 111 Y 4.7825 7.5429 121.7255 56.0743 40.9160 173.6264 112 R 4.2318 8.7972 121.1172 55.9104 30.5147 176.3295 113 G 4.1172 8.6627 115.2578 45.1249 0.0000 173.4881 114 S 4.4811 8.5780 114.7279 58.8036 62.9927 174.6384 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 4 N 8.41 4.71 0.00 2.75 2.84 0.00 0.00 7.02 7.06 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 5 I 8.15 4.02 1.87 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.26 0.77 0.00 0.00 6 L 9.43 5.30 0.00 2.04 1.82 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 S 9.15 5.30 0.00 3.76 3.71 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 8 V 8.94 5.08 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 0.78 0.00 0.00 0.94 0.00 0.00 9 H 8.43 5.44 0.00 3.25 3.38 0.00 5.39 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 10 I 8.69 4.77 1.66 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 0.71 0.68 0.66 0.00 0.00 11 L 8.64 4.82 0.00 1.78 1.54 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.02 5.01 0.00 2.90 2.93 0.00 0.00 6.78 6.87 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 13 Q 9.22 4.31 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 14 Q 8.85 4.30 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 15 T 8.13 4.38 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 1.29 0.00 0.00 16 G 8.34 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 0.00 0.00 0.00 17 K 7.66 4.81 0.00 1.67 1.68 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 18 P 0.00 4.75 0.00 1.94 2.10 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 19 A 8.66 4.40 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.38 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 21 D 8.41 4.31 0.00 2.82 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 22 V 7.65 4.26 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 0.90 0.00 0.00 0.49 0.00 0.00 23 T 8.52 4.40 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 24 V 9.04 4.74 1.91 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 0.34 0.00 0.00 0.90 0.00 0.00 25 T 8.38 4.88 4.12 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 0.00 0.00 0.00 1.12 0.00 0.00 26 L 8.47 5.19 0.00 1.63 1.31 0.98 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.25 5.19 0.00 1.79 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 2.19 2.12 0.00 28 K 9.05 4.62 0.00 1.92 1.64 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 0.75 7.81 29 K 8.19 3.25 0.00 0.79 1.16 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.86 0.79 7.81 30 A 7.63 4.57 1.11 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 31 D 8.64 4.41 0.00 2.60 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 32 N 7.56 4.79 0.00 2.58 2.65 0.00 0.00 6.85 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 33 G 8.53 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 34 W 8.66 5.19 0.00 3.24 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 35 L 8.71 4.79 0.00 1.72 1.46 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.86 4.48 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 37 L 8.68 4.39 0.00 1.16 1.30 0.50 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.54 4.57 0.00 2.59 2.49 0.00 0.00 6.62 7.22 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 39 T 8.24 5.15 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 1.16 0.00 0.00 40 A 8.66 4.62 1.19 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 41 K 8.29 5.15 0.00 1.59 1.67 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.37 7.81 42 T 8.64 4.24 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 1.26 0.00 0.00 43 D 8.79 5.13 0.00 2.89 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 44 K 8.56 3.99 0.00 1.89 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 45 D 8.31 4.64 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 47 R 8.37 5.01 0.00 2.19 1.83 0.00 3.06 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 48 I 8.47 4.70 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.91 0.00 0.00 49 K 8.69 4.07 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 50 A 7.46 4.88 1.23 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 51 L 8.93 4.23 0.00 1.60 1.76 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.34 3.96 0.00 3.51 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 53 P 0.00 4.53 0.00 2.15 2.09 0.00 2.35 0.00 0.00 3.14 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 54 E 8.33 4.48 0.00 2.01 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 2.31 2.29 0.00 55 Q 7.55 4.73 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 56 T 8.47 4.05 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 57 A 8.25 4.67 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 58 T 7.81 4.74 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 1.27 0.00 0.00 59 T 8.39 4.07 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 1.25 0.00 0.00 60 G 7.67 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.84 5.16 0.00 2.35 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 62 Y 8.71 5.26 0.00 1.69 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 63 R 9.01 4.93 0.00 1.00 0.98 0.00 2.58 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.29 0.00 64 V 8.84 4.63 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.92 0.00 0.00 65 V 8.05 4.58 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 0.96 0.00 0.00 0.72 0.00 0.00 66 F 9.01 4.57 0.00 2.80 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 67 K 8.83 4.30 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.55 7.81 68 T 7.84 4.13 4.36 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 1.09 0.00 0.00 69 G 8.20 4.18 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 0.00 0.00 0.00 70 D 8.15 4.40 0.00 2.89 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 71 Y 7.63 4.07 0.00 3.02 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 72 F 8.24 4.19 0.00 3.15 3.12 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 0.00 0.00 0.00 0.00 73 K 8.46 3.92 0.00 1.93 2.03 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 74 K 7.87 4.08 0.00 1.88 1.82 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.63 7.81 75 Q 7.30 4.19 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 76 N 8.02 4.33 0.00 2.87 2.91 0.00 0.00 6.74 7.16 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 77 L 7.95 4.79 0.00 1.84 1.48 1.12 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.41 4.49 0.00 2.01 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 2.29 2.30 0.00 79 S 7.76 3.85 0.00 3.33 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 80 F 7.56 4.30 0.00 2.36 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 81 F 7.15 4.88 0.00 3.06 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 82 P 0.00 4.40 0.00 2.23 2.31 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 83 E 7.51 4.98 0.00 2.09 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 2.14 2.27 0.00 84 I 8.65 4.35 1.57 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.49 -0.11 0.00 0.00 85 P 0.00 4.88 0.00 1.99 1.91 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 86 V 9.14 4.49 2.27 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 1.12 0.00 0.00 1.08 0.00 0.00 87 E 9.06 5.38 0.00 2.01 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 2.28 2.30 0.00 88 F 9.09 5.18 0.00 3.20 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 89 H 9.11 5.35 0.00 3.18 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.54 4.28 1.82 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.22 0.72 0.00 0.00 91 N 9.17 4.71 0.00 2.88 3.02 0.00 0.00 6.06 7.13 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 92 K 7.93 4.56 0.00 1.90 1.75 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.40 7.81 93 V 8.52 3.71 2.14 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 0.75 0.00 0.00 0.92 0.00 0.00 94 N 7.94 4.83 0.00 2.64 2.74 0.00 0.00 6.89 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 95 E 7.62 4.14 0.00 1.99 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 2.08 2.13 0.00 96 H 8.19 4.65 0.00 3.09 3.06 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.83 4.51 0.00 2.88 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 98 H 8.67 5.10 0.00 3.10 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.60 4.32 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 0.87 0.00 0.00 0.39 0.00 0.00 100 P 0.00 4.42 0.00 1.35 1.28 0.00 2.68 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.42 0.00 101 L 8.37 4.62 0.00 0.51 0.66 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.93 4.96 0.00 1.69 1.78 1.03 0.44 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 0.00 103 L 8.90 5.09 0.00 1.63 1.49 1.02 0.66 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 0.00 104 S 9.22 5.33 0.00 4.04 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 0.00 105 Q 9.58 3.27 0.00 2.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 106 Y 7.75 4.54 0.00 2.87 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 0.00 107 G 8.27 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.77 5.44 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 0.00 109 S 9.26 4.92 0.00 3.85 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 0.00 110 T 8.66 5.11 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 1.31 0.00 0.00 111 Y 7.54 4.78 0.00 2.96 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 0.00 112 R 8.80 4.23 0.00 1.93 1.99 0.00 3.35 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 113 G 8.66 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.58 4.48 0.00 3.95 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