NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2791 8.2393 117.2840 55.9510 30.7219 174.4024 3 K 4.5111 8.2248 119.0354 54.5169 35.3494 174.7104 4 C 4.6971 9.3137 122.4034 56.4341 44.3286 173.6559 5 S 4.7649 9.6276 122.5217 56.8077 62.7546 174.2379 6 L 4.0558 8.5712 127.2176 57.7274 41.6682 178.1494 7 T 3.9592 7.8404 115.3240 64.1077 69.1371 172.7684 8 G 3.7972 8.1189 112.7878 43.9852 0.0000 171.5398 9 K 4.9545 8.0822 118.8519 54.4738 34.7066 175.7312 10 W 5.7172 9.2023 123.5151 55.3727 33.7556 174.0991 11 T 5.3259 9.8753 116.0928 60.8293 71.0041 172.5205 12 N 5.4608 8.7324 123.3880 50.1056 40.2071 174.7793 13 D 4.3426 8.5858 117.1766 56.3899 39.7014 177.1962 14 L 4.1749 7.9457 117.1460 55.2042 42.0084 177.2010 15 G 3.8868 8.0426 107.0059 45.7795 0.0000 173.4061 16 S 4.9414 8.9135 115.1406 56.6919 66.0544 172.9612 17 N 5.7149 9.0891 118.5215 52.0058 43.0002 173.3469 18 M 5.0878 8.5227 116.2553 54.2884 35.4716 173.7883 19 T 5.0361 8.6282 116.3119 61.8891 72.4233 172.9071 20 I 4.7127 8.9831 127.2527 59.4395 40.0603 176.7536 21 G 3.9040 8.8171 115.7503 45.8162 0.0000 172.9380 22 A 4.3128 8.4693 122.5129 51.0949 19.2639 177.6992 23 V 4.2582 8.1380 121.4833 61.5686 31.9366 175.9610 24 N 4.6871 8.9224 126.2946 52.2387 38.3645 175.7775 25 S 4.0744 8.6875 112.0400 61.7309 62.3154 175.7364 26 R 3.9531 7.9380 116.9662 57.8858 30.0662 177.5244 27 G 4.0787 8.4483 106.7315 44.8944 0.0000 172.7315 28 E 4.9117 9.0579 120.1000 55.7268 31.2129 175.4941 29 F 5.3016 8.2677 116.5406 56.3256 42.1570 172.8133 30 T 5.1012 8.4263 114.9162 62.1751 73.6186 173.5038 31 G 3.7329 7.5115 107.4776 46.4537 0.0000 172.0907 32 T 5.1221 7.7860 114.7894 61.9439 73.2682 172.5329 33 Y 4.7858 10.0947 126.3858 55.9248 41.3634 174.1826 34 I 5.0872 8.6971 128.0772 59.9571 39.4094 174.7512 35 T 5.1348 9.0552 120.5471 60.4389 71.4080 173.6620 36 A 4.7398 8.6992 123.2614 51.4030 20.5548 176.4274 37 V 4.4676 7.4818 109.1059 59.5907 35.8990 174.4286 38 T 4.3103 8.2745 128.0380 62.7216 68.3998 171.5983 39 A 4.4101 7.3198 124.4728 52.4221 24.8052 175.8389 40 T 4.0463 7.2393 108.9484 64.1429 71.9470 171.6745 41 S 4.2826 8.1911 123.5868 60.4030 67.8216 175.3841 42 N 4.3831 6.8433 120.9997 51.5592 34.1781 175.1794 43 E 4.4936 10.2083 120.3520 54.7515 31.5578 175.8959 44 I 4.5244 8.4535 114.8415 59.4429 40.1903 175.9916 45 K 4.7478 8.4340 124.9992 54.4353 35.7374 174.6302 46 E 5.3895 8.9000 123.4733 54.7036 31.5511 175.0995 47 S 5.0391 9.3959 122.1861 56.0611 67.6621 171.8016 48 P 4.5343 0.0000 0.0000 62.5363 33.0232 174.8415 49 L 5.2651 8.5589 120.6534 54.4258 44.3206 174.9738 50 H 5.0529 9.0650 117.5014 54.3395 32.7971 172.9704 51 G 3.8546 8.1992 109.5274 45.5843 0.0000 171.0346 52 T 5.1315 8.8024 113.2440 60.2522 71.2309 172.2534 53 E 5.2069 9.2405 128.5638 54.3143 31.6176 175.0029 54 N 4.5136 9.1964 126.6429 53.8860 39.6105 174.4730 55 T 4.3889 8.4154 118.7345 61.7429 68.2222 174.0763 56 I 3.9325 7.6628 121.6778 63.7265 37.4331 175.2820 57 N 4.0975 8.8089 120.1689 53.5681 36.4861 175.0476 58 K 3.9073 7.9606 115.6840 57.5900 29.9030 175.1542 59 R 4.1983 7.4244 118.0432 56.4639 31.4743 177.9828 60 T 4.1713 8.4594 117.0145 65.9657 69.1744 174.1235 61 Q 5.0565 7.8172 118.8316 52.1150 28.3872 173.5843 62 P 4.6294 0.0000 0.0000 62.6534 33.5196 177.0989 63 T 4.7896 8.4070 111.4156 61.7929 71.0310 172.9904 64 F 5.3225 8.0963 116.4085 56.6261 41.8977 172.8231 65 G 4.7441 9.2705 105.5391 45.1731 0.0000 171.9486 66 F 5.6168 8.9385 116.3489 55.7193 41.9730 173.0648 67 T 4.9638 9.3040 117.8193 61.9618 71.1556 173.5458 68 V 4.2175 8.3840 125.7920 61.2228 33.2111 174.4694 69 N 4.7391 8.2497 129.2353 51.2895 37.1400 173.3349 70 W 4.5276 7.3104 119.2314 57.1311 29.5268 176.3788 71 K 4.3481 8.9932 122.7938 57.2628 32.1738 177.5453 72 F 4.9612 7.5254 112.3517 55.9809 38.1417 174.2148 73 S 4.4206 7.2163 113.5920 58.1157 64.7995 173.6534 74 E 4.3151 8.4707 120.8829 56.7336 29.9337 176.8647 75 S 4.8449 7.8854 116.6807 58.1931 65.0945 173.0623 76 T 5.0074 8.6033 115.9011 62.4006 72.9070 173.5644 77 T 5.2051 8.3502 120.1168 61.9189 72.7886 173.3133 78 V 4.8433 8.4287 118.0546 59.5723 35.2089 174.7083 79 F 5.2295 8.8201 122.4287 55.9431 42.6855 174.1184 80 T 4.6962 8.4278 115.9066 60.7431 71.2251 173.2518 81 G 4.0187 7.0207 111.8670 46.4124 0.0000 171.4747 82 Q 4.8777 8.0872 121.6504 54.5673 32.7979 174.9989 83 C 4.7026 9.6523 127.3663 56.1580 42.8771 172.6140 84 F 4.9600 9.2511 125.7116 56.1792 41.7075 175.1987 85 I 5.0019 8.4937 120.3609 60.3477 38.3293 174.9791 86 D 4.6943 9.6101 126.0389 53.7337 44.7273 174.5242 87 R 4.0954 9.2263 123.2773 54.8713 27.6064 175.8537 88 N 5.2733 8.5586 130.2371 54.1007 39.6342 173.1316 89 G 3.7984 7.8607 106.4287 45.9978 0.0000 174.2782 90 K 4.4043 8.1607 119.4397 55.6580 33.7869 175.8311 91 E 5.0574 8.6863 122.4411 55.8452 30.7829 176.0652 92 V 4.9598 9.1720 123.2349 61.2979 35.8238 173.7402 93 L 5.2553 9.1517 126.8541 53.1114 44.2647 175.3423 94 K 5.1131 8.9622 123.8681 55.0289 34.2203 175.7059 95 T 5.3145 9.2306 114.7133 60.1563 72.9336 172.4099 96 M 5.2217 8.8992 121.5589 53.5862 35.8885 174.1134 97 W 5.3999 8.5955 120.3463 54.7430 32.6996 173.4971 98 L 5.1545 8.7492 120.2540 52.9304 44.3169 175.2713 99 L 4.8984 9.3545 126.8443 53.4564 44.2994 174.7934 100 R 4.9302 9.0228 128.3535 55.1881 31.4711 175.8272 101 S 4.7848 8.8872 123.2496 57.6429 64.5974 173.7555 102 S 4.4060 8.4583 117.1082 57.9870 62.5963 173.8375 103 V 4.4777 8.2236 119.9669 59.5381 34.1132 175.6913 104 N 4.5285 8.5999 119.1908 55.1887 39.0876 175.3683 105 D 4.9010 7.6856 116.4847 51.7547 44.2742 175.8851 106 I 3.6787 8.5990 125.5153 64.0219 38.0217 177.7111 107 G 3.8049 8.4434 107.8615 47.5080 0.0000 173.7952 108 D 4.8709 8.2866 119.2780 53.9672 41.5399 177.4539 109 D 4.3393 8.0487 121.5052 57.1091 41.1659 178.6893 110 W 4.2837 8.4526 114.4587 58.7054 27.8403 176.5325 111 K 3.7584 6.5587 115.8214 56.0971 31.9563 176.8513 112 A 4.0885 7.9348 122.9875 53.7596 18.8243 177.4265 113 T 5.1000 7.6724 112.4032 61.7533 70.8765 173.9938 114 R 4.8412 8.7858 125.6429 54.6350 33.2251 175.5842 115 V 4.2888 7.6442 118.9104 60.3565 35.0293 174.6156 116 G 3.2271 5.8096 106.8651 45.8214 0.0000 171.7429 117 I 5.1521 8.1922 112.5051 59.3730 40.9362 174.6547 118 N 5.1941 9.3657 118.5819 52.1513 43.5732 173.6834 119 I 5.0200 8.6461 123.3790 59.6039 40.0767 174.5363 120 F 5.4488 9.3958 125.8987 55.9002 41.9271 174.6985 121 T 5.3816 9.2753 112.3282 59.5714 72.5015 173.4060 122 R 4.1146 8.7230 121.7046 56.4501 30.9015 176.3941 123 L 4.0622 8.6744 124.1120 54.4432 42.7586 174.8630 124 R 3.7859 8.0221 127.3514 54.0891 29.9340 175.8143 125 T 3.6617 8.4041 112.1695 61.9946 69.5343 173.3852 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 2 R 8.24 4.28 0.00 1.94 2.01 0.00 3.17 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 1.51 1.58 0.00 3 K 8.22 4.51 0.00 2.00 1.86 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.51 7.81 4 C 9.31 4.70 0.00 3.03 3.15 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 5 S 9.63 4.76 0.00 3.87 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 6 L 8.57 4.06 0.00 1.32 1.14 -0.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.84 3.96 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 1.19 0.00 0.00 8 G 8.12 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 9 K 8.08 4.95 0.00 1.53 1.61 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.30 7.81 10 W 9.20 5.72 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.88 5.33 4.37 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 1.37 0.00 0.00 12 N 8.73 5.46 0.00 2.48 2.18 0.00 0.00 6.65 7.35 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 13 D 8.59 4.34 0.00 2.80 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 14 L 7.95 4.17 0.00 1.72 1.80 1.03 1.01 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 15 G 8.04 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 16 S 8.91 4.94 0.00 3.81 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 17 N 9.09 5.71 0.00 2.49 2.62 0.00 0.00 6.83 7.64 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 18 M 8.52 5.09 0.00 1.49 1.93 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 19 T 8.63 5.04 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 1.16 0.00 0.00 20 I 8.98 4.71 1.92 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.75 0.52 0.00 0.00 21 G 8.82 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 0.00 0.00 0.00 22 A 8.47 4.31 1.24 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 0.00 0.00 0.00 23 V 8.14 4.26 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 0.97 0.00 0.00 0.88 0.00 0.00 24 N 8.92 4.69 0.00 2.99 3.00 0.00 0.00 6.19 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 25 S 8.69 4.07 0.00 3.86 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 26 R 7.94 3.95 0.00 2.06 1.99 0.00 3.47 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 27 G 8.45 4.08 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 0.00 0.00 0.00 28 E 9.06 4.91 0.00 1.87 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 0.00 2.27 2.38 0.00 29 F 8.27 5.30 0.00 3.06 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 30 T 8.43 5.10 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 1.09 0.00 0.00 31 G 7.51 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 32 T 7.79 5.12 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 1.28 0.00 0.00 33 Y 10.09 4.79 0.00 2.97 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 34 I 8.70 5.09 1.92 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 1.14 0.50 0.92 0.00 0.00 35 T 9.06 5.13 4.71 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 1.40 0.00 0.00 36 A 8.70 4.74 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 37 V 7.48 4.47 2.07 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 0.68 0.00 0.00 0.94 0.00 0.00 38 T 8.27 4.31 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 1.27 0.00 0.00 39 A 7.32 4.41 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 40 T 7.24 4.05 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 1.21 0.00 0.00 41 S 8.19 4.28 0.00 3.56 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 42 N 6.84 4.38 0.00 2.88 3.00 0.00 0.00 5.68 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 43 E 10.21 4.49 0.00 1.84 1.65 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 2.19 2.28 0.00 44 I 8.45 4.52 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 1.33 0.74 0.97 0.00 0.00 45 K 8.43 4.75 0.00 1.52 1.68 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.14 0.97 7.81 46 E 8.90 5.39 0.00 1.99 1.85 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 2.24 2.35 0.00 47 S 9.40 5.04 0.00 3.73 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 48 P 0.00 4.53 0.00 2.08 2.16 0.00 3.81 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 2.08 1.99 0.00 49 L 8.56 5.27 0.00 1.79 1.66 0.72 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 H 9.06 5.05 0.00 3.07 3.13 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.20 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 52 T 8.80 5.13 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 1.24 0.00 0.00 53 E 9.24 5.21 0.00 2.23 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 0.00 2.32 2.33 0.00 54 N 9.20 4.51 0.00 2.73 2.75 0.00 0.00 7.09 8.00 0.00 0.00 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 T 8.42 4.39 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 1.24 0.00 0.00 56 I 7.66 3.93 1.88 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 1.43 0.93 0.92 0.00 0.00 57 N 8.81 4.10 0.00 2.89 2.93 0.00 0.00 7.32 7.61 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 58 K 7.96 3.91 0.00 1.82 1.92 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 59 R 7.42 4.20 0.00 1.81 1.87 0.00 3.38 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 60 T 8.46 4.17 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 1.25 0.00 0.00 61 Q 7.82 5.06 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 62 P 0.00 4.63 0.00 2.20 2.32 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 63 T 8.41 4.79 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 1.15 0.00 0.00 64 F 8.10 5.32 0.00 3.55 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 65 G 9.27 4.74 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 66 F 8.94 5.62 0.00 3.29 3.33 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 67 T 9.30 4.96 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 1.17 0.00 0.00 68 V 8.38 4.22 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 -0.71 0.00 0.00 0.70 0.00 0.00 69 N 8.25 4.74 0.00 2.73 2.67 0.00 0.00 7.26 8.00 0.00 0.00 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 W 7.31 4.53 0.00 3.02 2.48 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 71 K 8.99 4.35 0.00 1.99 2.02 0.00 1.59 0.00 0.00 2.07 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 72 F 7.53 4.96 0.00 3.16 3.15 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 73 S 7.22 4.42 0.00 3.59 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 74 E 8.47 4.32 0.00 1.97 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 2.27 2.30 0.00 75 S 7.89 4.84 0.00 3.65 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 76 T 8.60 5.01 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 1.17 0.00 0.00 77 T 8.35 5.21 4.32 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 0.88 0.00 0.00 78 V 8.43 4.84 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 0.80 0.00 0.00 0.89 0.00 0.00 79 F 8.82 5.23 0.00 1.64 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 80 T 8.43 4.70 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 1.11 0.00 0.00 81 G 7.02 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 0.00 0.00 0.00 82 Q 8.09 4.88 0.00 1.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.90 0.00 0.00 0.00 0.00 0.00 1.47 2.09 0.00 83 C 9.65 4.70 0.00 2.99 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 84 F 9.25 4.96 0.00 3.08 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 85 I 8.49 5.00 1.97 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 1.35 0.70 1.01 0.00 0.00 86 D 9.61 4.69 0.00 2.45 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 87 R 9.23 4.10 0.00 1.92 2.24 0.00 3.54 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 88 N 8.56 5.27 0.00 2.81 2.90 0.00 0.00 7.09 7.98 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 89 G 7.86 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 90 K 8.16 4.40 0.00 1.95 1.79 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.44 7.81 91 E 8.69 5.06 0.00 1.95 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 0.00 2.44 2.39 0.00 92 V 9.17 4.96 2.30 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 1.23 0.00 0.00 1.12 0.00 0.00 93 L 9.15 5.26 0.00 1.72 1.78 0.33 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.96 5.11 0.00 2.04 1.90 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.63 7.81 95 T 9.23 5.31 4.66 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 1.70 0.00 0.00 96 M 8.90 5.22 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 97 W 8.60 5.40 0.00 2.74 1.96 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 98 L 8.75 5.15 0.00 1.60 1.60 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.35 4.90 0.00 1.73 1.85 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.02 4.93 0.00 1.89 1.92 0.00 3.28 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 101 S 8.89 4.78 0.00 3.80 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 0.00 102 S 8.46 4.41 0.00 3.86 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 0.00 103 V 8.22 4.48 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 0.69 0.00 0.00 0.94 0.00 0.00 104 N 8.60 4.53 0.00 2.71 2.87 0.00 0.00 6.65 8.06 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 0.00 105 D 7.69 4.90 0.00 2.71 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 0.00 106 I 8.60 3.68 1.89 0.00 0.00 nan 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 1.21 0.93 0.00 0.00 107 G 8.44 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 0.00 108 D 8.29 4.87 0.00 2.68 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 0.00 109 D 8.05 4.34 0.00 2.82 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 0.00 110 W 8.45 4.28 0.00 3.66 3.27 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 0.00 111 K 6.56 3.76 0.00 0.96 0.74 0.00 1.04 0.00 0.00 1.06 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.63 0.80 7.81 112 A 7.93 4.09 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 0.00 113 T 7.67 5.10 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 1.21 0.00 0.00 114 R 8.79 4.84 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 115 V 7.64 4.29 1.73 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 0.53 0.00 0.00 0.66 0.00 0.00 116 G 5.81 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 0.00 0.00 0.00 117 I 8.19 5.15 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.82 0.00 0.00 118 N 9.37 5.19 0.00 3.24 2.64 0.00 0.00 7.24 7.00 0.00 0.00 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 I 8.65 5.02 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.57 1.00 0.00 0.00 120 F 9.40 5.45 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.28 5.38 4.37 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 1.34 0.00 0.00 122 R 8.72 4.11 0.00 1.53 1.56 0.00 2.95 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 123 L 8.67 4.06 0.00 1.56 1.56 1.06 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.02 3.79 0.00 1.75 1.86 0.00 3.51 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 125 T 8.40 3.66 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 1.16 0.00 0.00