NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8041 8.3393 109.7351 45.3422 0.0000 173.8592 2 S 4.1723 8.5697 122.2176 55.3324 62.4500 170.1226 3 E 4.6900 8.5578 123.3556 54.4544 32.9966 176.8351 4 G 4.0586 8.1720 106.6530 44.3182 0.0000 172.8980 5 A 4.4313 8.3023 126.2951 50.1899 19.5278 174.9775 6 A 4.2474 8.1849 124.2364 52.7092 17.0687 177.4501 7 T 3.4076 7.8779 121.3620 64.5770 66.1764 172.5527 8 M 4.2420 7.9967 119.2949 54.3570 33.1000 176.5853 9 A 4.4660 8.2972 124.4506 52.9066 19.6272 176.2937 10 T 4.8860 8.2440 106.2682 60.6447 71.9505 172.9616 11 F 5.5356 8.5837 117.8015 53.9531 41.6391 173.5950 12 E 4.3917 8.6604 120.0739 54.4006 32.5615 173.6948 13 E 5.0098 8.8261 128.4081 55.3505 31.0148 175.3158 14 V 4.4025 8.4975 126.5876 61.1934 34.6157 173.9555 15 S 4.9226 8.8154 123.3822 57.8104 62.8889 173.3186 16 V 4.7136 8.7318 119.0463 60.1805 36.9714 173.7414 17 L 4.7762 8.4962 123.1088 55.6151 44.7733 175.9502 18 G 4.1523 8.9379 111.1786 44.9338 0.0000 173.5533 19 F 4.3432 8.8389 118.8701 61.3027 39.3574 176.4029 20 E 4.0968 8.6024 117.5447 59.8271 29.1858 178.7821 21 E 3.9520 8.2318 117.2704 59.7368 29.8244 179.0116 22 F 4.2408 7.8483 119.0041 61.6162 39.2405 176.7079 23 D 3.5762 8.0417 117.3828 56.9409 41.0245 177.7646 24 K 3.7259 7.8423 119.7610 59.7549 31.9526 178.2967 25 A 3.9353 7.8518 119.6856 55.2897 18.5029 179.4508 26 V 3.4123 7.4523 116.5041 66.0685 31.4364 178.2183 27 K 3.8130 8.2436 118.4836 59.7812 31.6788 179.1858 28 E 3.9624 7.9841 117.9817 58.6300 29.3201 178.0716 29 H 5.0111 7.8889 115.5751 55.4381 29.8378 176.7132 30 E 4.1247 7.7141 122.1349 59.2861 29.7780 178.4844 31 S 4.2344 8.2105 115.1350 60.4750 63.0798 174.1252 32 K 4.6627 7.3443 117.5079 54.0960 34.6210 175.8499 33 T 4.0683 8.3267 116.4685 64.4454 69.4226 173.4729 34 I 5.0422 8.3788 125.0200 59.5639 41.3634 174.6309 35 F 5.1520 9.2440 123.4063 55.8933 42.4261 173.6416 36 A 4.3799 8.5452 126.8932 50.6854 20.3232 175.4332 37 Y 4.5201 7.9713 125.7735 55.4898 39.0579 172.6822 38 F 4.3777 7.6855 121.3914 56.9053 40.0307 174.2286 39 S 4.2622 8.3015 118.1674 55.7845 66.6570 173.9036 40 G 4.1498 7.9789 107.8315 46.4977 0.0000 173.2193 41 S 4.7206 9.4273 116.0332 58.0148 63.7043 173.7075 42 K 4.4181 8.4641 124.8276 55.8954 33.0590 177.2447 43 D 4.8337 8.8638 122.9247 53.2634 42.7125 177.2119 44 T 3.8741 8.5399 109.2035 65.3162 68.4803 175.1737 45 E 3.9854 8.0624 121.3320 57.3080 29.9162 176.6854 46 G 4.0452 8.4671 106.8078 45.8619 0.0000 173.2943 47 K 4.6620 7.8915 116.5088 54.1336 35.9673 175.6667 48 S 4.9496 8.7020 117.3071 56.1985 63.9833 174.5558 49 W 4.5888 8.7946 122.7151 59.7039 28.1355 176.3741 50 C 4.3171 6.5463 119.7870 57.8548 31.7174 172.1336 51 P 4.2875 0.0000 0.0000 64.7959 30.9496 177.6285 52 D 4.3875 7.7741 119.0833 57.2910 41.3627 177.2791 53 C 4.1865 7.8385 118.0220 62.3694 27.8675 176.5151 54 V 3.6778 7.1873 118.2489 65.1164 31.2342 176.8417 55 E 4.2735 7.5919 115.3070 56.8036 30.0931 176.7052 56 A 4.3858 8.3880 120.1452 53.7018 19.6817 178.2848 57 E 3.7570 8.1266 118.6535 59.4104 29.7607 177.6436 58 P 4.1303 0.0000 0.0000 65.4655 31.5847 178.3110 59 V 3.5875 7.5119 117.7997 65.2587 31.5020 177.5665 60 I 3.8429 7.8935 119.7810 63.4886 37.1053 178.3245 61 R 3.3399 7.5850 118.1928 58.9719 30.1416 178.7015 62 E 3.9954 7.8365 117.9953 59.3038 29.4642 179.5991 63 G 3.5797 7.4546 104.8990 47.8094 0.0000 175.3835 64 L 2.4400 7.4553 121.1622 57.1265 41.1407 179.9639 65 K 3.6941 7.0962 117.5823 59.5307 32.0127 178.2996 66 H 4.2021 8.4148 116.1047 57.9127 28.9141 176.3617 67 V 3.6908 6.7329 118.5053 62.8499 31.1684 175.8112 68 T 4.5118 8.5821 115.5964 61.6248 67.4952 173.3193 69 E 4.9109 7.7325 116.5563 54.3408 33.0859 175.3831 70 D 5.3441 8.8124 120.8171 53.6045 39.2138 175.0103 71 C 5.0134 8.6291 122.1579 58.2738 32.3272 173.2257 72 V 4.6297 8.9027 119.1466 60.8701 32.9310 174.3029 73 F 5.0027 9.2539 130.3041 58.5161 41.0900 174.3708 74 I 4.5847 7.7222 125.2116 60.0768 40.9190 173.8640 75 Y 4.0118 8.9514 130.8148 57.1041 38.2455 172.2151 76 C 4.5842 7.8650 124.1733 58.0589 33.1977 171.8491 77 Q 4.7106 8.3716 125.4038 54.8147 29.0269 176.8510 78 V 3.0846 8.4250 119.3298 62.0854 32.0801 177.0080 79 G 3.8330 7.7315 109.1744 45.4889 0.0000 173.8327 80 D 5.0037 8.0083 127.7165 52.2480 42.7578 176.9602 81 K 2.0000 7.9126 120.9520 58.5715 31.8917 176.7710 82 P 4.3679 0.0000 0.0000 64.2596 31.7474 176.2886 83 Y 4.9548 7.4156 119.2969 58.9859 39.2084 177.1239 84 W 4.6296 8.1492 129.0183 60.2120 31.0298 177.1726 85 K 3.4625 7.9038 116.8972 58.8629 31.2985 175.1505 86 D 4.1875 7.4026 119.7144 53.6022 40.2796 175.7985 87 P 4.1927 0.0000 0.0000 64.4507 31.5974 176.7042 88 N 4.8208 7.7013 115.8824 53.4480 39.1711 174.9914 89 N 4.7440 7.4643 115.3687 52.4728 41.0134 175.7429 90 D 4.3688 8.6295 123.0369 57.0392 40.7917 179.2748 91 F 4.1884 8.1779 118.4788 60.1384 38.7017 176.9698 92 R 4.4924 8.1112 115.3146 56.9299 30.1419 177.9463 93 Q 4.2017 7.8427 117.3842 57.3369 29.7448 176.6793 94 K 4.2994 7.8597 117.4900 58.6432 32.8092 178.4554 95 L 4.1774 7.9866 115.9141 55.4444 42.3421 176.9298 96 K 4.0445 7.9735 116.6844 56.1198 29.4851 175.3630 97 I 4.0049 8.0303 118.6738 61.7628 37.6497 176.9242 98 T 4.2236 8.2424 122.2382 64.8914 68.4800 174.5046 99 A 5.0477 8.0427 120.8482 51.0523 22.5406 176.1417 100 V 3.8916 8.2747 116.8691 59.7402 32.5383 174.3425 101 P 4.1856 0.0000 0.0000 63.0679 32.3650 175.6785 102 T 4.4665 8.3771 119.2350 61.9109 71.3536 173.1038 103 L 4.7681 9.1629 130.9571 53.7987 42.8038 174.2744 104 L 4.9130 8.5060 128.6924 53.4033 44.4809 175.3484 105 K 4.1098 8.5318 128.3616 54.5254 32.3318 173.0009 106 Y 4.3975 8.1273 128.1544 61.3032 38.5700 174.5593 107 G 3.6803 8.3316 119.3387 45.3464 0.0000 173.1693 108 T 4.6770 8.3116 110.2801 58.6562 71.2778 172.9242 109 P 4.4802 0.0000 0.0000 64.1048 31.6368 176.1947 110 Q 4.3915 7.8348 120.1804 55.9123 29.3965 175.3170 111 K 4.9468 8.6112 122.4703 55.2820 36.2715 175.3760 112 L 4.8579 8.9568 122.5641 53.2084 44.1443 176.9019 113 V 4.0799 8.4484 123.4471 62.0827 33.2099 176.5897 114 E 3.9024 8.0941 117.2691 60.0895 29.7023 179.1222 115 S 4.2402 8.2943 112.5328 61.6346 62.5261 176.2075 116 E 4.1907 8.0017 116.6573 58.2662 29.4559 177.8437 117 C 4.3503 8.4190 116.2228 60.9574 28.5729 174.1499 118 C 4.7127 7.5279 117.9666 58.6359 32.1133 173.9171 119 Q 4.3271 7.5911 119.9016 54.9800 28.5826 175.6287 120 S 4.0105 8.4577 121.7640 61.7440 61.6168 176.3904 121 S 4.2555 8.0879 117.9773 61.3842 62.4158 176.5746 122 L 4.2348 7.5831 120.7955 57.2808 41.4464 179.1297 123 V 3.2438 7.8388 118.6725 65.8745 31.3771 177.7107 124 E 3.9811 8.5518 116.6163 58.5134 29.4795 178.2587 125 M 4.0539 7.1958 120.3053 58.2657 32.3843 177.4931 126 I 3.6222 7.6344 118.6141 63.9386 37.9933 177.1672 127 F 4.8890 7.1043 116.9779 60.1520 39.2957 177.7774 128 S 4.3142 7.6541 113.9076 60.9785 62.9730 175.0081 129 E 4.2824 7.6269 120.4685 56.2439 30.1521 177.0753 130 D 4.5858 8.5074 119.2437 54.7635 41.0659 176.7500 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 8.34 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 2 S 8.57 4.17 0.00 4.06 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 3 E 8.56 4.69 0.00 2.04 1.97 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 2.16 2.32 0.00 4 G 8.17 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.30 4.43 1.21 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 0.00 0.00 6 A 8.18 4.25 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 7 T 7.88 3.41 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 8 M 8.00 4.24 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 9 A 8.30 4.47 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 10 T 8.24 4.89 4.20 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 1.26 0.00 0.00 11 F 8.58 5.54 0.00 2.94 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 12 E 8.66 4.39 0.00 1.93 1.75 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 2.21 2.19 0.00 13 E 8.83 5.01 0.00 2.17 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 0.00 2.60 2.39 0.00 14 V 8.50 4.40 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 1.12 0.00 0.00 0.96 0.00 0.00 15 S 8.82 4.92 0.00 3.94 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 16 V 8.73 4.71 2.18 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 0.78 0.00 0.00 1.05 0.00 0.00 17 L 8.50 4.78 0.00 1.65 1.56 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.94 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 0.00 0.00 0.00 19 F 8.84 4.34 0.00 2.91 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 20 E 8.60 4.10 0.00 2.12 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 2.52 2.44 0.00 21 E 8.23 3.95 0.00 2.07 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 0.00 2.47 2.39 0.00 22 F 7.85 4.24 0.00 3.13 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 23 D 8.04 3.58 0.00 2.86 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 24 K 7.84 3.73 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 25 A 7.85 3.94 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 26 V 7.45 3.41 1.64 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 0.29 0.00 0.00 -0.12 0.00 0.00 27 K 8.24 3.81 0.00 1.85 1.82 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.52 7.81 28 E 7.98 3.96 0.00 1.96 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 2.27 2.44 0.00 29 H 7.89 5.01 0.00 3.16 3.27 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.71 4.12 0.00 2.11 2.18 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 2.40 2.31 0.00 31 S 8.21 4.23 0.00 3.91 3.99 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 32 K 7.34 4.66 0.00 1.76 1.96 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 33 T 8.33 4.07 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 1.11 0.00 0.00 34 I 8.38 5.04 1.95 0.00 0.00 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 1.39 1.31 0.95 0.00 0.00 35 F 9.24 5.15 0.00 3.25 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 36 A 8.55 4.38 0.48 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 0.00 0.00 37 Y 7.97 4.52 0.00 2.82 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.69 4.38 0.00 2.64 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 0.00 0.00 0.00 0.00 39 S 8.30 4.26 0.00 3.28 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 40 G 7.98 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 0.00 0.00 0.00 41 S 9.43 4.72 0.00 4.02 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 42 K 8.46 4.42 0.00 1.76 1.72 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.50 1.46 7.81 43 D 8.86 4.83 0.00 2.69 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 44 T 8.54 3.87 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 1.23 0.00 0.00 45 E 8.06 3.99 0.00 1.94 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 2.30 2.37 0.00 46 G 8.47 4.05 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 0.00 0.00 0.00 47 K 7.89 4.66 0.00 1.75 1.65 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 48 S 8.70 4.95 0.00 3.64 3.19 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 49 W 8.79 4.59 0.00 3.58 3.28 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 50 C 6.55 4.32 0.00 1.52 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 0.00 0.00 0.00 51 P 0.00 4.29 0.00 2.26 2.30 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 52 D 7.77 4.39 0.00 2.77 2.57 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 53 C 7.84 4.19 0.00 2.76 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 54 V 7.19 3.68 2.05 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 0.86 0.00 0.00 1.01 0.00 0.00 55 E 7.59 4.27 0.00 2.16 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 0.00 2.25 2.33 0.00 56 A 8.39 4.39 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.76 0.00 2.27 2.05 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 2.30 2.35 0.00 58 P 0.00 4.13 0.00 2.24 2.23 0.00 3.58 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 2.13 1.97 0.00 59 V 7.51 3.59 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 1.13 0.00 0.00 0.92 0.00 0.00 60 I 7.89 3.84 1.36 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.61 0.00 0.00 61 R 7.59 3.34 0.00 1.65 1.73 0.00 3.18 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.92 0.00 62 E 7.84 4.00 0.00 2.00 1.90 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 2.22 2.37 0.00 63 G 7.45 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 64 L 7.46 2.44 0.00 1.04 0.80 -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.10 3.69 0.00 1.77 1.70 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.12 0.95 7.81 66 H 8.41 4.20 0.00 3.23 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 6.73 3.69 1.82 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 0.65 0.00 0.00 1.21 0.00 0.00 68 T 8.58 4.51 4.28 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 1.34 0.00 0.00 69 E 7.73 4.91 0.00 2.02 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 0.00 2.29 2.45 0.00 70 D 8.81 5.34 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.63 5.01 0.00 3.11 3.31 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 72 V 8.90 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 0.87 0.00 0.00 0.96 0.00 0.00 73 F 9.25 5.00 0.00 3.24 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 74 I 7.72 4.58 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.96 0.00 0.00 75 Y 8.95 4.01 0.00 3.29 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 76 C 7.87 4.58 0.00 2.68 2.21 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 77 Q 8.37 4.71 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 78 V 8.43 3.08 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 -0.14 0.00 0.00 0.93 0.00 0.00 79 G 7.73 3.83 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 0.00 0.00 0.00 80 D 8.01 5.00 0.00 2.75 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 81 K 7.91 2.00 0.00 0.79 1.21 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 0.75 7.81 82 P 0.00 4.37 0.00 2.17 2.06 0.00 3.51 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 83 Y 7.42 4.95 0.00 3.11 3.19 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 84 W 8.15 4.63 0.00 3.51 3.28 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 85 K 7.90 3.46 0.00 1.61 1.66 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.32 7.81 86 D 7.40 4.19 0.00 2.43 2.43 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 87 P 0.00 4.19 0.00 2.06 2.02 0.00 3.59 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 1.87 1.86 0.00 88 N 7.70 4.82 0.00 2.65 2.80 0.00 0.00 6.89 7.93 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 89 N 7.46 4.74 0.00 2.86 2.99 0.00 0.00 6.98 7.30 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 90 D 8.63 4.37 0.00 2.36 2.32 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 91 F 8.18 4.19 0.00 3.29 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 92 R 8.11 4.49 0.00 1.80 1.91 0.00 2.98 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 93 Q 7.84 4.20 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 94 K 7.86 4.30 0.00 1.92 1.90 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.34 1.23 7.81 95 L 7.99 4.18 0.00 1.77 1.63 0.44 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.97 4.04 0.00 1.90 1.87 0.00 1.84 0.00 0.00 1.36 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.38 7.81 97 I 8.03 4.00 2.25 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.49 1.01 0.00 0.00 98 T 8.24 4.22 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 1.28 0.00 0.00 99 A 8.04 5.05 1.41 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 0.00 0.00 100 V 8.27 3.89 1.46 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 -1.19 0.00 0.00 -0.04 0.00 0.00 101 P 0.00 4.19 0.00 1.88 1.53 0.00 3.68 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 102 T 8.38 4.47 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 1.36 0.00 0.00 103 L 9.16 4.77 0.00 1.97 1.81 1.28 0.09 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 0.00 104 L 8.51 4.91 0.00 2.03 1.82 1.06 1.03 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 0.00 105 K 8.53 4.11 0.00 2.01 1.82 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 0.50 7.81 106 Y 8.13 4.40 0.00 2.88 2.93 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 0.00 107 G 8.33 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.68 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 1.27 0.00 0.00 109 P 0.00 4.48 0.00 2.22 2.23 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 2.00 1.99 0.00 110 Q 7.83 4.39 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 111 K 8.61 4.95 0.00 1.88 1.82 0.00 1.47 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.58 7.81 112 L 8.96 4.86 0.00 1.58 1.62 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.45 4.08 2.11 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 1.00 0.00 0.00 1.04 0.00 0.00 114 E 8.09 3.90 0.00 2.03 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 2.40 2.30 0.00 115 S 8.29 4.24 0.00 3.86 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 0.00 116 E 8.00 4.19 0.00 2.10 1.97 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 2.31 2.34 0.00 117 C 8.42 4.35 0.00 3.16 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 0.00 118 C 7.53 4.71 0.00 2.91 2.91 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 0.00 119 Q 7.59 4.33 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 120 S 8.46 4.01 0.00 3.96 4.06 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 0.00 0.00 0.00 121 S 8.09 4.26 0.00 3.85 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 0.00 122 L 7.58 4.23 0.00 1.77 1.62 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.84 3.24 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 1.10 0.00 0.00 0.88 0.00 0.00 124 E 8.55 3.98 0.00 2.06 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 2.43 2.26 0.00 125 M 7.20 4.05 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 126 I 7.63 3.62 1.67 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 -0.01 0.00 0.00 127 F 7.10 4.89 0.00 3.09 2.93 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 0.00 128 S 7.65 4.31 0.00 4.02 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 0.00 129 E 7.63 4.28 0.00 2.00 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 0.00 2.37 2.30 0.00 130 D 8.51 4.59 0.00 2.67 2.60 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