NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3510 8.3193 115.2912 57.8862 62.5710 170.5984 8 Q 4.3658 8.1287 119.7003 52.8489 30.1179 174.2406 9 I 4.3159 8.4403 123.4972 59.1636 40.6455 175.4625 10 Q 4.6630 8.2699 127.0027 54.8845 30.9960 175.4455 11 F 4.7218 8.2825 120.1401 55.4306 39.3771 175.8759 12 T 3.5048 7.9289 111.3228 64.0302 69.0973 175.6156 13 R 4.4147 7.8863 116.9651 56.8390 31.0066 177.6554 14 H 4.1237 9.5909 120.2028 59.4065 29.8338 176.3904 15 A 3.8924 8.1667 122.2642 55.5924 18.1462 179.7023 16 S 4.1431 8.0151 111.6348 61.2466 63.2331 176.2372 17 D 4.3048 8.0812 122.8363 57.2210 40.6164 178.5883 18 V 3.4841 8.0870 119.0683 65.9179 31.3959 177.7691 19 L 3.8520 7.7612 119.8370 58.0999 41.9805 178.4267 20 L 3.9573 7.9391 120.2239 58.6027 41.9417 178.8282 21 N 4.4380 8.2432 116.1341 55.9773 38.4444 177.5339 22 L 4.0288 7.9675 120.6841 57.8326 41.6609 178.9942 23 N 4.4471 8.7571 117.4858 56.6472 38.8810 176.8271 24 R 3.8698 8.0982 120.2052 59.4847 30.1180 178.5468 25 L 4.0403 7.9865 118.8027 57.5072 41.4807 179.4310 26 R 3.7261 7.9197 118.7435 59.5505 29.8031 178.3875 27 S 4.0931 7.7656 113.6806 61.7708 63.0201 176.4455 28 R 4.2876 7.6786 116.5451 54.8881 30.4049 175.6848 29 D 4.2608 8.0689 117.6801 55.1077 39.9200 173.5827 30 I 4.1174 8.1162 119.2146 60.8128 37.8689 176.5558 31 L 4.1994 8.7963 124.0742 55.5020 39.1141 174.7215 32 T 3.8921 7.3360 109.2223 61.9741 68.9785 173.5990 33 D 5.0850 8.5902 123.0897 52.7213 40.6926 175.5783 34 V 4.7122 7.4844 117.2469 60.9461 34.9711 172.6835 35 V 4.8359 8.9540 122.6981 61.3562 34.2085 174.1245 36 I 4.7924 9.1535 129.5200 60.0140 39.2403 174.7160 37 V 4.7880 9.3335 128.2783 61.2541 33.6282 174.4359 38 V 4.1174 8.4640 128.5017 63.4898 33.3809 175.4676 39 S 3.9654 9.5965 125.5803 58.8597 61.2381 170.6355 40 R 4.6551 8.5875 119.2685 55.5252 33.8202 175.6946 41 E 4.0471 8.2056 118.0945 56.4446 30.0298 175.4594 42 Q 5.0333 8.0012 120.0201 54.1073 31.6648 175.0121 43 F 4.7989 9.0116 122.0187 55.6996 42.2437 174.4961 44 R 4.7811 8.7896 123.2577 56.0305 31.2454 175.8267 45 A 4.4669 8.7742 123.6366 51.8405 23.7181 173.8465 46 H 5.2074 8.7018 114.9777 54.3033 30.4225 176.7561 47 K 3.2381 9.3420 124.3836 59.5447 31.8008 179.5449 48 T 3.8013 7.6723 109.4799 64.7246 68.1093 176.6075 49 V 3.4189 7.5825 120.5106 65.5953 31.5656 177.7749 50 L 4.0851 7.8383 118.7283 58.2406 41.2385 179.4749 51 M 4.3585 8.3736 117.4555 58.4625 32.0514 178.3745 52 A 4.2694 8.1381 118.9920 54.0951 18.6083 177.6741 53 C 4.6557 7.6688 112.9078 59.8373 30.5655 174.4001 54 S 4.7309 8.6634 114.1038 55.3393 65.1179 174.8143 55 G 3.8955 8.3728 114.5330 47.2016 0.0000 175.7312 56 L 3.7450 7.5683 122.2145 58.0881 41.9931 179.2257 57 F 4.1511 8.1597 117.8157 60.3553 38.5661 176.9847 58 Y 4.0395 8.1047 118.7806 60.7468 39.0090 178.0297 59 S 4.2709 8.1448 113.7567 61.6202 62.4751 176.0069 60 I 3.6002 7.7216 122.5553 64.2858 36.5984 177.5707 61 F 5.0429 7.8533 115.7094 57.9173 38.9614 176.0322 62 T 4.4650 7.4437 106.9797 60.8654 69.7037 173.5506 63 D 4.4170 7.7544 124.1684 54.2622 41.4556 176.4765 64 Q 4.0469 8.9718 126.4617 59.2677 29.0821 178.5392 65 L 4.1064 8.6340 118.9357 57.8313 42.3952 177.8716 66 K 4.3764 8.1602 116.0443 56.7489 32.7752 178.6605 67 R 4.0884 8.3302 116.1832 58.8917 29.0956 177.1525 68 N 4.7890 7.9733 112.5235 52.6895 39.2452 175.0347 69 L 4.2094 7.8017 119.9158 54.9285 42.2626 177.2520 70 S 4.5643 8.6344 116.2564 59.2867 64.6693 173.6014 71 V 5.0059 7.7377 120.0408 61.1536 34.3391 174.4023 72 I 4.6453 8.9952 128.1264 59.6264 40.4124 173.9917 73 N 5.2491 8.7653 124.4921 51.5746 39.6662 175.1494 74 L 4.4394 8.5105 124.3424 54.0767 42.9388 177.0655 75 D 4.4723 8.8122 121.1006 53.7529 41.2750 176.4652 76 P 4.2722 0.0000 0.0000 65.5966 31.2408 177.4152 77 E 4.0480 7.8743 115.3685 57.9059 29.9192 177.0464 78 I 3.8321 7.2380 121.8802 60.8786 38.0699 175.3759 79 N 4.9387 8.4128 122.3933 50.8510 40.2389 173.6519 80 P 4.3920 0.0000 0.0000 66.3285 31.4598 178.0828 81 E 4.1211 8.4679 117.0824 59.6466 29.6256 179.1684 82 G 3.6600 8.1552 104.9652 47.8339 0.0000 175.2890 83 F 4.0978 8.0729 122.5649 60.8535 39.3864 176.6192 84 N 3.9151 8.5848 117.0396 56.7689 38.6329 176.8180 85 I 3.7027 7.9196 121.0772 64.5207 37.1624 178.5187 86 L 4.0583 7.6574 119.3131 57.4903 41.2364 179.3679 87 L 3.8000 7.8682 120.7879 58.1675 41.9328 178.7583 88 D 4.3921 8.2036 118.9294 57.2619 40.6836 178.3707 89 F 4.6901 8.2624 122.5700 61.1054 39.1334 176.8188 90 M 3.6791 8.1077 117.0647 58.5837 31.9494 177.7449 91 Y 4.2731 7.6434 113.4768 58.6398 38.5277 176.0568 92 T 4.4570 7.1366 107.0879 60.0191 70.2873 175.1280 93 S 3.6230 8.1772 117.0868 58.5222 61.4075 169.5946 94 R 4.6292 7.8610 120.1538 54.1498 31.8430 174.6105 95 L 4.6698 8.6090 124.7448 53.3584 42.7264 175.6178 96 N 4.7205 8.7054 125.1413 52.2511 38.2465 174.7235 97 L 5.0721 8.2578 122.6906 53.0903 44.8743 176.7732 98 R 4.7878 8.7394 118.3259 53.6544 35.4206 176.4578 99 E 3.9765 8.8072 120.2886 59.6007 29.5583 179.6703 100 G 3.7749 8.0645 104.1403 46.2288 0.0000 174.1111 101 N 4.9629 7.7392 116.5470 52.4466 38.4974 175.9430 102 I 3.8267 7.7951 121.9053 64.5561 37.9093 177.5177 103 M 4.0390 7.9607 119.0303 58.1223 31.8431 178.3716 104 A 3.9816 7.9073 120.6003 54.9581 18.6270 179.7077 105 V 3.5235 8.3163 117.3225 66.2537 31.6355 177.9480 106 M 3.9924 8.2572 117.9384 58.5251 32.0870 177.9309 107 A 3.9824 8.1912 121.0093 55.6724 18.5479 179.6263 108 T 3.9065 8.2419 114.1961 66.9310 68.5080 176.6861 109 A 4.0490 8.2459 122.5565 55.2784 18.3660 179.7135 110 M 4.0112 7.9954 117.3457 58.7814 31.8710 178.3271 111 Y 4.1364 8.0365 118.4770 60.4136 39.2148 177.3406 112 L 3.8104 8.2238 118.2456 54.0354 43.3171 175.7228 113 Q 3.7380 7.8693 117.4539 57.5919 26.2754 174.2390 114 M 4.9164 8.2339 119.2364 52.6385 32.8228 176.3517 115 E 3.8528 8.2069 123.8874 60.0178 30.1436 177.7037 116 H 4.2632 8.1613 115.1901 59.0452 28.7592 177.9006 117 V 3.4156 7.7031 119.4550 65.8672 31.4076 177.6118 118 V 3.5356 8.0895 118.4361 66.3544 31.2389 177.3017 119 D 4.4486 8.7389 117.7400 57.8433 41.0518 178.7750 120 T 3.8580 8.1315 116.2257 66.6957 68.3400 176.5267 121 C 4.2175 8.3421 118.8554 62.7381 28.2222 175.7609 122 R 3.8935 8.4492 120.6689 59.6525 29.6268 178.5086 123 K 3.9857 8.3388 118.1656 59.5601 31.8645 179.0996 124 F 4.5921 8.1166 119.5694 61.4347 39.5774 176.9360 125 I 3.6886 8.1152 119.6811 64.3378 36.7459 178.6192 126 K 4.0399 8.0388 117.4254 58.8797 31.8508 178.6839 127 A 4.1493 7.7394 119.9258 52.3293 18.7558 177.1399 128 S 3.8262 7.7944 116.0649 58.8809 64.0639 171.6393 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 7 S 8.32 4.35 0.00 3.85 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 8 Q 8.13 4.37 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 9 I 8.44 4.32 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 1.08 0.00 0.00 10 Q 8.27 4.66 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.16 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 11 F 8.28 4.72 0.00 3.05 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 12 T 7.93 3.50 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 13 R 7.89 4.41 0.00 2.06 2.24 0.00 3.00 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 1.73 1.75 0.00 14 H 9.59 4.12 0.00 3.17 3.47 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.17 3.89 1.32 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 0.00 0.00 16 S 8.02 4.14 0.00 4.05 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 17 D 8.08 4.30 0.00 2.98 2.75 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 18 V 8.09 3.48 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 0.91 0.00 0.00 0.68 0.00 0.00 19 L 7.76 3.85 0.00 1.74 1.73 0.78 0.44 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 20 L 7.94 3.96 0.00 1.81 1.92 0.93 0.52 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 21 N 8.24 4.44 0.00 2.92 2.84 0.00 0.00 7.05 6.90 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 22 L 7.97 4.03 0.00 1.92 1.77 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.76 4.45 0.00 3.18 3.02 0.00 0.00 6.88 7.20 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 24 R 8.10 3.87 0.00 2.13 2.11 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 L 7.99 4.04 0.00 2.00 1.92 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.92 3.73 0.00 1.50 1.67 0.00 2.83 0.00 0.00 2.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.00 27 S 7.77 4.09 0.00 4.07 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 28 R 7.68 4.29 0.00 1.80 1.94 0.00 3.31 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 29 D 8.07 4.26 0.00 2.71 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 30 I 8.12 4.12 1.89 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 1.30 0.77 0.92 0.00 0.00 31 L 8.80 4.20 0.00 1.84 1.80 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.34 3.89 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 1.05 0.00 0.00 33 D 8.59 5.09 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 34 V 7.48 4.71 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 0.69 0.00 0.00 1.10 0.00 0.00 35 V 8.95 4.84 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 1.10 0.00 0.00 0.94 0.00 0.00 36 I 9.15 4.79 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.03 0.69 0.00 0.00 37 V 9.33 4.79 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 0.95 0.00 0.00 0.97 0.00 0.00 38 V 8.46 4.12 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 0.90 0.00 0.00 0.56 0.00 0.00 39 S 9.60 3.97 0.00 4.08 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 40 R 8.59 4.66 0.00 1.78 1.87 0.00 3.27 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 1.52 1.63 0.00 41 E 8.21 4.05 0.00 2.37 1.60 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 2.28 2.32 0.00 42 Q 8.00 5.03 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 43 F 9.01 4.80 0.00 3.35 3.21 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 44 R 8.79 4.78 0.00 1.67 1.83 0.00 3.21 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 45 A 8.77 4.47 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 46 H 8.70 5.21 0.00 3.17 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.34 3.24 0.00 1.29 0.82 0.00 1.47 0.00 0.00 1.07 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 1.13 7.81 48 T 7.67 3.80 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 1.14 0.00 0.00 49 V 7.58 3.42 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 0.26 0.00 0.00 0.74 0.00 0.00 50 L 7.84 4.09 0.00 1.93 1.31 nan 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.37 4.36 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.16 3.02 0.00 52 A 8.14 4.27 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 53 C 7.67 4.66 0.00 3.07 3.06 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 54 S 8.66 4.73 0.00 3.95 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 55 G 8.37 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 56 L 7.57 3.75 0.00 1.41 1.05 0.55 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.16 4.15 0.00 3.54 3.21 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 58 Y 8.10 4.04 0.00 3.17 3.21 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 59 S 8.14 4.27 0.00 3.98 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 60 I 7.72 3.60 1.35 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.49 0.00 0.00 61 F 7.85 5.04 0.00 3.05 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 62 T 7.44 4.46 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 0.99 0.00 0.00 63 D 7.75 4.42 0.00 2.83 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 64 Q 8.97 4.05 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 65 L 8.63 4.11 0.00 1.56 1.96 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.16 4.38 0.00 2.00 1.84 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.53 7.81 67 R 8.33 4.09 0.00 1.94 2.28 0.00 3.07 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 68 N 7.97 4.79 0.00 2.75 2.90 0.00 0.00 6.93 7.85 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 69 L 7.80 4.21 0.00 1.83 1.79 0.96 0.89 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 70 S 8.63 4.56 0.00 3.91 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 71 V 7.74 5.01 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 0.88 0.00 0.00 0.96 0.00 0.00 72 I 9.00 4.65 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 1.01 0.00 0.00 73 N 8.77 5.25 0.00 2.61 2.76 0.00 0.00 7.16 7.85 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 74 L 8.51 4.44 0.00 1.46 1.61 0.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.81 4.47 0.00 2.31 2.68 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 76 P 0.00 4.27 0.00 2.14 2.16 0.00 3.71 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 1.94 1.93 0.00 77 E 7.87 4.05 0.00 2.02 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 2.03 2.14 0.00 78 I 7.24 3.83 1.68 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.09 0.88 0.00 0.00 79 N 8.41 4.94 0.00 2.93 2.93 0.00 0.00 6.23 7.76 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 80 P 0.00 4.39 0.00 2.37 2.60 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 81 E 8.47 4.12 0.00 2.10 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 2.43 2.45 0.00 82 G 8.16 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 83 F 8.07 4.10 0.00 3.16 3.02 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 84 N 8.58 3.92 0.00 3.04 3.02 0.00 0.00 7.25 7.73 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 85 I 7.92 3.70 2.03 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 1.66 0.49 0.96 0.00 0.00 86 L 7.66 4.06 0.00 1.69 1.74 0.99 0.31 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 87 L 7.87 3.80 0.00 0.84 1.46 1.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.20 4.39 0.00 2.94 2.75 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 89 F 8.26 4.69 0.00 3.13 3.24 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 90 M 8.11 3.68 0.00 1.86 2.37 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.68 0.00 91 Y 7.64 4.27 0.00 2.81 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 92 T 7.14 4.46 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 1.25 0.00 0.00 93 S 8.18 3.62 0.00 4.00 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 94 R 7.86 4.63 0.00 1.95 1.88 0.00 3.11 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 95 L 8.61 4.67 0.00 1.39 1.51 0.79 0.79 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 96 N 8.71 4.72 0.00 2.79 2.81 0.00 0.00 7.02 7.85 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 97 L 8.26 5.07 0.00 1.80 1.67 1.08 0.93 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 98 R 8.74 4.79 0.00 1.80 1.75 0.00 3.15 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 99 E 8.81 3.98 0.00 1.87 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 2.25 2.31 0.00 100 G 8.06 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 0.00 0.00 0.00 101 N 7.74 4.96 0.00 2.98 3.14 0.00 0.00 5.91 7.97 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 0.00 102 I 7.80 3.83 1.98 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 1.50 1.59 0.85 0.00 0.00 103 M 7.96 4.04 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 104 A 7.91 3.98 1.48 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 0.00 105 V 8.32 3.52 2.25 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 0.97 0.00 0.00 1.02 0.00 0.00 106 M 8.26 3.99 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 107 A 8.19 3.98 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 0.00 108 T 8.24 3.91 4.44 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 1.42 0.00 0.00 109 A 8.25 4.05 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 0.00 110 M 8.00 4.01 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.56 0.00 111 Y 8.04 4.14 0.00 2.87 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 0.00 112 L 8.22 3.81 0.00 1.75 1.65 1.22 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.87 3.74 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 114 M 8.23 4.92 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 115 E 8.21 3.85 0.00 1.95 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 2.38 2.37 0.00 116 H 8.16 4.26 0.00 3.23 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.70 3.42 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 0.91 0.00 0.00 0.42 0.00 0.00 118 V 8.09 3.54 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 0.79 0.00 0.00 1.00 0.00 0.00 119 D 8.74 4.45 0.00 3.00 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 0.00 120 T 8.13 3.86 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 1.14 0.00 0.00 121 C 8.34 4.22 0.00 3.15 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 0.00 122 R 8.45 3.89 0.00 1.83 2.13 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 123 K 8.34 3.99 0.00 1.96 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.81 1.60 7.81 124 F 8.12 4.59 0.00 3.01 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 0.00 125 I 8.12 3.69 2.01 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 1.42 0.89 0.86 0.00 0.00 126 K 8.04 4.04 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 127 A 7.74 4.15 1.48 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 0.00 128 S 7.79 3.83 0.00 4.04 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