NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2353 8.2993 120.1346 56.3290 33.4314 175.4021 2 E 4.2679 8.3367 120.6934 53.3334 31.8251 174.5954 3 T 4.2419 8.4422 110.9216 61.2406 72.0699 176.3157 4 A 3.9897 8.5298 123.0154 55.2039 18.3407 179.9749 5 A 3.9613 7.9823 118.7771 55.3171 18.5154 179.5702 6 A 3.9995 8.1299 119.4026 55.1421 18.4126 179.7554 7 K 4.0013 8.4061 118.4308 59.5196 32.1726 178.8299 8 F 4.0985 8.3003 120.9212 61.2350 39.3536 176.9337 9 E 3.9776 8.3581 118.2134 59.5442 29.0994 179.3729 10 R 3.8609 7.9574 117.4654 59.5247 30.2041 178.1874 11 Q 4.0149 8.2108 117.1917 57.8590 28.8957 176.4236 12 H 4.6377 8.0079 113.8579 55.0469 30.8056 173.2089 13 M 4.4302 7.7226 119.9449 53.9503 33.1856 176.4331 14 D 4.7092 8.1975 123.2590 52.0244 41.4021 174.6429 15 S 4.1460 8.0173 115.7101 58.8283 63.8074 175.4001 16 S 4.2720 8.5062 121.5223 58.6067 63.2323 174.2029 17 T 4.3759 8.1009 113.9379 60.5528 70.3238 175.5414 18 S 4.2361 8.6608 116.4154 61.7254 62.5753 176.4033 19 A 4.0366 7.9899 122.6732 54.2591 18.2596 178.2727 20 A 4.3941 7.8046 116.8024 51.4014 19.4995 177.7620 21 S 4.3543 7.3291 113.6889 58.0292 64.0362 175.6340 22 S 4.3861 8.5418 116.5806 60.4916 62.6447 176.3254 23 S 4.2626 8.0997 117.3085 60.8532 63.1026 174.8469 24 N 4.7640 8.0342 118.6722 53.1692 38.7263 175.8841 25 Y 4.0141 7.9083 122.7967 61.2298 38.8456 177.5832 26 C 4.2487 8.6172 117.1854 60.0182 40.0790 175.7782 27 N 4.3791 8.1816 116.6424 56.2776 38.2300 176.7801 28 L 3.9820 7.4851 120.1801 58.4392 42.3461 178.5239 29 M 3.7906 7.6532 117.5153 57.9726 33.2972 178.1709 30 M 4.3236 8.1327 119.5620 55.6047 27.6552 177.3695 *33 R 4.3866 7.3629 114.1462 55.0639 32.5306 175.7298 34 N 4.2187 8.0738 113.1618 54.7934 35.9712 174.6030 35 L 4.6216 8.2104 115.5544 54.8997 42.0738 177.9537 36 T 5.6333 7.5985 105.6660 60.1498 69.8564 174.8628 37 K 4.2046 8.4337 124.1159 60.0185 32.4087 177.6774 38 D 4.5283 7.9296 116.3353 55.9280 41.6379 176.0163 39 R 3.2798 7.0583 113.1796 55.2265 31.4955 173.9672 40 C 4.8269 8.6783 116.3466 55.6901 40.4344 173.9714 41 K 4.1794 8.4725 126.9828 55.8928 32.6288 174.6197 42 P 4.7329 0.0000 0.0000 64.7627 32.3378 176.5341 43 V 5.0560 7.6123 116.8256 61.3717 34.7079 173.9029 44 N 4.8112 9.3009 125.4256 52.6208 42.6728 172.8822 45 T 4.7671 7.8321 121.9755 61.7232 70.9468 173.5828 46 F 4.6472 8.8218 123.9780 55.6133 41.8729 174.6361 47 V 4.4136 8.3748 122.1967 61.2897 33.4169 174.6687 48 H 4.9662 9.0215 124.1364 55.8154 29.4394 174.8155 49 E 4.4801 8.0201 119.0597 54.7363 31.2281 176.4906 50 S 4.3553 8.2026 114.6801 58.2223 65.0119 174.7829 51 L 3.9202 8.5434 124.3885 58.3322 41.8206 179.0587 52 A 4.1129 8.0305 120.1094 55.6107 18.1069 179.2646 53 D 4.3414 8.0111 115.8263 57.3766 41.1442 178.9639 54 V 3.7521 7.7915 118.9390 66.0232 31.5656 178.0641 55 Q 3.9594 8.7296 117.9512 58.9381 28.5775 178.6981 56 A 4.0730 8.1262 121.2755 54.5160 18.2364 179.6646 57 V 3.4748 7.7125 117.1111 65.9446 31.3107 177.0500 58 C 3.7132 7.8412 115.4288 58.1956 39.9100 174.2274 59 S 4.7135 7.5262 114.7665 58.0153 64.0130 174.6059 60 Q 4.1690 7.3610 121.8093 56.7219 30.6695 179.0304 61 K 4.3287 8.5703 135.0000 56.1667 32.5026 174.2604 62 N 4.4439 8.7836 127.3338 53.9109 37.9489 174.3220 63 V 4.5851 8.4435 117.8981 59.3019 36.8237 174.5111 64 A 4.1265 8.4445 125.6194 52.5125 19.0541 178.5720 65 C 4.6835 8.7807 119.8081 56.0253 41.2914 175.1239 66 K 3.7630 9.1284 122.6742 59.8090 31.6541 178.1105 67 N 4.5177 8.0048 112.6596 53.2264 37.5519 175.5820 68 G 3.9473 8.1120 108.4112 45.6433 0.0000 174.1371 69 Q 4.3066 8.8877 119.4462 56.0356 29.3964 176.1877 70 T 4.7394 8.2287 106.3695 61.6001 69.1984 173.4576 71 N 4.9876 8.0415 118.0443 54.0463 38.5717 174.9290 72 C 5.3230 7.3066 115.3691 56.9803 44.4994 172.6651 73 Y 5.0713 8.6692 117.8233 56.6990 42.5128 173.7809 74 Q 5.1119 9.1261 125.4387 54.2130 31.2234 175.0479 75 S 4.5220 8.7593 121.4258 58.6088 63.2059 174.3051 76 Y 4.4938 8.6947 120.2557 60.5468 37.8737 176.2245 77 S 5.0409 7.7164 113.3539 56.1692 66.6820 174.2669 78 T 4.1253 8.2467 111.2322 62.2506 69.5984 173.4111 79 M 5.0154 8.7853 121.5565 53.4423 36.8292 174.6586 80 S 5.0832 9.3953 117.2511 58.0879 63.7366 173.1430 81 I 5.1023 8.8958 119.9929 59.5458 41.9448 174.1140 82 T 4.9984 8.7323 117.9552 61.9085 72.1989 172.8914 83 D 4.9072 9.2317 127.1752 53.4504 43.1628 174.2166 84 C 5.6389 9.1785 123.2465 55.2685 41.4432 172.9534 85 R 5.3263 8.9005 123.2628 54.2356 33.0521 174.2708 86 E 4.2181 8.8504 125.3715 56.7765 30.8705 177.3456 87 T 4.2642 8.3990 113.9247 60.2591 70.5853 175.9517 88 G 3.5389 8.4963 109.9260 48.1248 0.0000 174.5472 89 S 4.5279 7.3480 112.5952 57.9078 63.2631 173.8786 90 S 4.1584 7.6625 117.7933 58.0601 62.6503 173.0500 91 K 4.5416 8.7791 128.4321 54.5261 34.3924 174.6298 92 Y 4.3557 8.8313 127.6039 57.9431 38.9716 173.9352 93 P 3.6233 0.0000 0.0000 62.5965 31.8577 176.5951 94 N 4.6936 8.0228 119.9289 52.1499 37.1905 173.2434 95 C 4.7553 8.3667 117.6250 55.9892 42.8304 173.1569 96 A 4.9941 7.8830 123.4430 50.5460 22.0278 174.5364 97 Y 5.1651 9.6122 119.6230 55.9715 42.0560 175.0231 98 K 4.5119 9.4410 124.1723 55.4982 34.0345 175.2534 99 T 4.9126 8.6103 124.6218 62.9617 69.7788 174.4878 100 T 4.5329 8.8525 123.2201 61.7189 71.5396 173.6445 101 Q 4.7396 8.7285 125.2614 56.0062 29.9443 175.3440 102 A 4.4830 8.5017 121.5477 51.5004 23.5507 175.2872 103 N 5.2909 8.8031 116.8969 51.7422 40.0610 174.4626 104 K 4.8101 8.8207 122.6183 54.5727 37.2589 176.0323 105 H 4.9000 8.9717 119.5527 55.9780 29.9741 174.6982 106 I 4.9543 8.5771 114.5531 59.2266 41.1989 174.3250 107 I 4.9214 8.0427 123.2104 59.7082 40.4655 175.1317 108 V 4.6483 8.6017 119.2357 59.3063 35.9840 174.3300 109 A 5.0182 8.9428 124.6730 51.0197 20.6936 175.7564 110 C 5.2084 8.5603 119.0327 55.3445 38.0368 173.0572 111 E 4.7307 8.6845 119.8121 56.7614 33.5656 175.5637 112 G 4.0958 9.7106 109.9308 44.5969 0.0000 171.7976 113 N 4.9843 8.1614 116.4702 50.8330 40.2351 172.3802 114 P 4.3396 0.0000 0.0000 62.7931 31.9329 176.0851 115 Y 4.8317 8.3018 121.4127 56.8689 38.5555 174.3672 116 V 4.5138 8.0532 119.1802 58.2009 36.6262 173.3515 117 P 4.7219 0.0000 0.0000 63.1792 31.2133 177.1441 118 V 4.4795 8.9106 115.3930 61.1721 34.0374 175.2056 119 H 4.8676 7.9220 119.5072 54.7386 33.4784 171.6539 120 F 4.4982 8.6128 127.5342 57.3508 39.4403 174.4817 121 D 4.4856 8.1111 126.6897 55.9797 42.0046 175.9507 122 A 4.5990 6.3172 117.6428 51.6152 22.1634 175.1087 123 S 5.1832 8.9401 113.4302 56.7794 66.2448 174.6621 124 V 4.1458 8.7176 114.2080 61.8001 32.6983 175.2224 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 K 8.30 4.24 0.00 1.75 1.82 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 2 E 8.34 4.27 0.00 2.16 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 0.00 2.25 2.33 0.00 3 T 8.44 4.24 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 4 A 8.53 3.99 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 5 A 7.98 3.96 1.34 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 0.00 0.00 0.00 6 A 8.13 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.00 0.00 1.96 2.02 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 F 8.30 4.10 0.00 3.21 3.25 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 0.00 9 E 8.36 3.98 0.00 2.28 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 2.47 2.63 0.00 10 R 7.96 3.86 0.00 1.78 2.05 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 11 Q 8.21 4.01 0.00 1.57 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 12 H 8.01 4.64 0.00 2.00 2.86 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.72 4.43 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 14 D 8.20 4.71 0.00 2.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.02 4.15 0.00 3.90 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 16 S 8.51 4.27 0.00 3.86 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 17 T 8.10 4.38 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 18 S 8.66 4.24 0.00 4.07 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 0.00 19 A 7.99 4.04 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 20 A 7.80 4.39 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.33 4.35 0.00 4.05 4.01 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 0.00 0.00 0.00 0.00 22 S 8.54 4.39 0.00 4.10 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 23 S 8.10 4.26 0.00 4.08 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 0.00 24 N 8.03 4.76 0.00 2.81 2.89 0.00 0.00 6.44 7.48 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 25 Y 7.91 4.01 0.00 3.01 3.01 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 0.00 0.00 0.00 0.00 26 C 8.62 4.25 0.00 3.16 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 27 N 8.18 4.38 0.00 2.89 2.94 0.00 0.00 6.84 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 28 L 7.49 3.98 0.00 1.55 1.64 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.65 3.79 0.00 0.59 1.21 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.47 0.00 30 M 8.13 4.32 0.00 1.62 1.77 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.46 0.00 *33 R 7.36 4.39 0.00 2.04 2.09 0.00 3.58 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 34 N 8.07 4.22 0.00 2.86 2.92 0.00 0.00 6.99 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 35 L 8.21 4.62 0.00 1.80 1.65 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.60 5.63 4.41 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 1.41 0.00 0.00 37 K 8.43 4.20 0.00 1.77 1.92 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.58 7.81 38 D 7.93 4.53 0.00 2.63 2.61 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 0.00 0.00 0.00 0.00 39 R 7.06 3.28 0.00 1.69 1.63 0.00 2.88 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 40 C 8.68 4.83 0.00 3.11 3.16 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 41 K 8.47 4.18 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.44 7.81 42 P 0.00 4.73 0.00 2.15 2.12 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.95 0.00 43 V 7.61 5.06 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 0.78 0.00 0.00 0.98 0.00 0.00 44 N 9.30 4.81 0.00 2.68 2.34 0.00 0.00 6.77 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 45 T 7.83 4.77 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 0.79 0.00 0.00 46 F 8.82 4.65 0.00 3.05 2.97 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 0.00 0.00 0.00 47 V 8.37 4.41 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 0.86 0.00 0.00 0.99 0.00 0.00 48 H 9.02 4.97 0.00 3.13 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.02 4.48 0.00 1.98 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 2.25 0.00 50 S 8.20 4.36 0.00 4.06 4.01 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 0.00 0.00 0.00 0.00 51 L 8.54 3.92 0.00 1.79 1.72 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.03 4.11 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 D 8.01 4.34 0.00 2.81 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 54 V 7.79 3.75 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 1.06 0.00 0.00 0.98 0.00 0.00 55 Q 8.73 3.96 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 56 A 8.13 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.47 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 1.09 0.00 0.00 0.98 0.00 0.00 58 C 7.84 3.71 0.00 2.91 2.83 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 59 S 7.53 4.71 0.00 3.92 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 60 Q 7.36 4.17 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.00 0.00 0.00 0.00 0.00 0.00 1.82 2.16 0.00 61 K 8.57 4.33 0.00 2.03 1.86 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.44 7.81 62 N 8.78 4.44 0.00 2.81 2.68 0.00 0.00 7.01 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 63 V 8.44 4.59 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 0.70 0.00 0.00 0.83 0.00 0.00 64 A 8.44 4.13 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 65 C 8.78 4.68 0.00 3.14 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 66 K 9.13 3.76 0.00 1.71 1.89 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 67 N 8.00 4.52 0.00 2.81 2.90 0.00 0.00 6.31 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 68 G 8.11 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 0.00 0.00 0.00 69 Q 8.89 4.31 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 70 T 8.23 4.74 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 1.17 0.00 0.00 71 N 8.04 4.99 0.00 3.13 3.18 0.00 0.00 6.06 7.68 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 72 C 7.31 5.32 0.00 2.97 2.89 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 73 Y 8.67 5.07 0.00 2.85 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 74 Q 9.13 5.11 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 75 S 8.76 4.52 0.00 3.93 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 76 Y 8.69 4.49 0.00 3.05 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 77 S 7.72 5.04 0.00 3.74 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 78 T 8.25 4.13 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 1.15 0.00 0.00 79 M 8.79 5.02 0.00 1.96 1.98 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 2.51 2.46 0.00 80 S 9.40 5.08 0.00 3.90 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 81 I 8.90 5.10 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 1.02 0.00 0.00 82 T 8.73 5.00 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 1.28 0.00 0.00 83 D 9.23 4.91 0.00 2.72 2.55 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 84 C 9.18 5.64 0.00 2.96 2.83 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 85 R 8.90 5.33 0.00 1.96 1.77 0.00 3.14 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 1.56 1.65 0.00 86 E 8.85 4.22 0.00 1.92 1.68 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 1.76 2.15 0.00 87 T 8.40 4.26 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 1.21 0.00 0.00 88 G 8.50 3.54 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 0.00 89 S 7.35 4.53 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 90 S 7.66 4.16 0.00 3.87 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 91 K 8.78 4.54 0.00 1.77 1.58 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.38 7.81 92 Y 8.83 4.36 0.00 2.95 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 93 P 0.00 3.62 0.00 1.76 0.98 0.00 3.61 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 94 N 8.02 4.69 0.00 2.77 2.76 0.00 0.00 7.03 7.24 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 95 C 8.37 4.76 0.00 3.16 3.05 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 96 A 7.88 4.99 1.12 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 97 Y 9.61 5.17 0.00 2.93 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 98 K 9.44 4.51 0.00 1.81 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.59 7.81 99 T 8.61 4.91 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 1.28 0.00 0.00 100 T 8.85 4.53 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 1.23 0.00 0.00 101 Q 8.73 4.74 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 102 A 8.50 4.48 1.22 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 0.00 0.00 0.00 103 N 8.80 5.29 0.00 2.60 2.77 0.00 0.00 6.70 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 0.00 104 K 8.82 4.81 0.00 1.72 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 105 H 8.97 4.90 0.00 3.12 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.58 4.95 1.79 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 1.26 1.27 1.11 0.00 0.00 107 I 8.04 4.92 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 0.78 0.00 0.00 108 V 8.60 4.65 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 0.53 0.00 0.00 0.88 0.00 0.00 109 A 8.94 5.02 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 0.00 0.00 0.00 0.00 0.00 110 C 8.56 5.21 0.00 2.08 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 0.00 0.00 0.00 0.00 111 E 8.68 4.73 0.00 2.01 1.67 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 2.17 2.25 0.00 112 G 9.71 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.16 4.98 0.00 2.64 2.71 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.34 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 Y 8.30 4.83 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 0.00 116 V 8.05 4.51 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 0.66 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.72 0.00 1.91 1.94 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 118 V 8.91 4.48 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 0.61 0.00 0.00 0.97 0.00 0.00 119 H 7.92 4.87 0.00 3.18 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.61 4.50 0.00 3.01 2.83 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 0.00 121 D 8.11 4.49 0.00 2.55 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 0.00 122 A 6.32 4.60 1.17 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 0.00 0.00 123 S 8.94 5.18 0.00 3.99 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 0.00 124 V 8.72 4.15 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 0.81 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.