NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8572 8.3201 115.8257 56.9767 37.8943 173.9928 4 A 4.7097 8.3038 133.4565 50.5905 18.9516 173.3059 5 E 4.6220 9.1181 119.3546 57.8236 32.3218 176.0368 6 L 4.2698 8.1760 119.3476 57.8371 41.8484 177.7845 7 Q 4.2040 7.4142 119.4864 55.9607 29.6628 176.1330 8 G 3.7431 7.9162 110.9532 43.4602 0.0000 171.6408 9 K 4.4456 7.6235 121.7526 55.9475 32.7305 176.8973 10 W 5.2064 8.2941 125.5198 55.4739 33.5133 173.7274 11 Y 5.4042 9.1700 119.6434 55.4755 41.8043 174.7786 12 T 4.7130 8.9785 118.3066 63.8802 69.1486 174.4625 13 I 4.2978 9.0671 127.8353 63.0864 38.8162 176.2731 14 V 5.0615 7.4890 113.4896 59.7487 36.3731 174.1765 15 I 5.0611 8.5757 123.4386 59.4880 41.0475 174.2746 16 A 5.6501 9.3184 127.3036 49.2614 21.7354 175.1763 17 A 4.9442 8.3308 121.3032 50.5667 21.8431 176.4242 18 D 4.3618 8.9397 120.1804 55.4799 40.0154 176.5674 19 N 4.7379 7.7888 117.9753 50.9447 38.1254 174.4893 20 L 3.9488 8.3425 125.1929 58.2790 42.1672 178.2085 21 E 4.2937 8.0955 119.0149 58.6655 29.3548 179.2589 22 K 4.0358 8.2759 118.9717 58.2225 31.8559 178.1169 23 I 4.2988 7.4113 109.6007 60.3078 38.5465 175.4058 24 E 4.2148 7.5837 121.4736 55.2663 30.1577 175.4846 25 E 3.7865 8.5701 120.2595 58.5111 29.6021 177.2808 26 G 4.0281 9.1395 114.2849 45.3025 0.0000 173.8388 27 G 3.8657 8.2522 109.7401 44.3901 0.0000 173.2197 28 P 4.3810 0.0000 0.0000 64.4884 31.6647 177.1604 29 L 4.7999 7.9353 117.8687 54.5313 41.7959 177.0673 30 R 3.8928 7.5704 121.8098 54.7902 28.4828 174.9747 31 F 5.0758 6.5422 117.8436 54.7449 41.0636 175.1143 32 Y 4.7075 9.0137 119.1421 56.2049 39.0852 175.4164 33 F 4.7271 9.6827 124.2701 58.2490 40.1940 176.3809 34 R 4.3727 9.2528 117.8459 57.9933 33.7327 174.8833 35 H 5.0664 7.9673 114.8829 55.4295 33.5122 172.5051 36 I 5.0997 8.6149 123.5590 59.6236 40.4816 174.1426 37 D 5.2861 9.3692 126.9499 52.7010 43.3217 175.2010 38 C 4.9786 9.3834 121.3739 58.4421 30.1966 172.9148 39 Y 4.5975 8.9429 120.0823 56.2303 41.7533 175.3409 40 K 3.9227 9.1822 119.2798 58.3626 29.5295 175.0350 41 N 3.9825 8.4833 107.8768 55.1347 36.4446 174.4728 42 C 4.2572 8.4536 111.8857 60.3987 30.5214 173.7421 43 S 4.3852 8.1138 113.9113 59.5640 63.2337 172.7298 44 E 5.5240 8.0769 120.1054 53.2153 33.7555 173.9855 *46 E 4.5083 8.4558 119.5710 56.6283 31.2654 174.5156 47 I 5.0217 8.6747 127.7027 59.8780 40.2334 174.4980 48 T 5.0757 8.8933 124.1842 61.8925 70.9304 173.7030 49 F 5.3072 8.3527 119.9536 56.4181 42.0010 172.2609 50 Y 5.1428 9.5713 116.9833 56.5056 40.6417 175.6393 51 V 5.1574 8.6514 114.5774 59.7998 36.3272 174.5886 52 I 4.7893 8.6077 123.6266 60.7286 38.3874 175.6376 53 T 4.5860 8.7644 123.6062 62.9686 71.8041 173.9402 54 N 4.3809 9.5653 123.2336 54.9297 36.1300 173.7712 55 N 4.3267 8.5148 108.7690 54.2598 36.7282 174.3037 56 Q 4.7226 7.9329 115.0266 53.9220 33.3621 174.2680 57 C 4.8306 8.9000 119.8671 57.4160 37.0515 173.2731 58 S 4.6339 9.4254 117.9775 56.0711 64.7213 172.8025 59 K 3.6033 8.6304 129.3380 56.5149 32.5977 176.0960 60 T 4.5851 8.3837 123.2209 61.7796 72.8818 172.8995 61 T 4.8994 8.0776 113.0029 60.0587 71.9632 173.2980 62 V 4.6423 8.5651 115.1586 59.7736 36.5687 174.3682 63 I 4.5798 8.4139 122.7419 59.5305 39.4774 175.2864 64 G 4.2707 8.6294 114.1978 45.2676 0.0000 171.7131 65 Y 5.0854 8.8277 121.5090 55.6914 40.4830 174.9301 66 L 3.9143 8.7670 127.6130 54.7650 43.0143 176.2320 67 K 4.5159 8.7446 125.4187 54.1410 35.0804 177.5722 68 G 3.6041 8.7212 110.0373 48.6851 0.0000 174.3436 69 N 4.4608 8.0315 114.6147 53.1453 37.5249 175.9180 70 G 3.9295 8.3006 107.9845 45.5801 0.0000 173.6311 71 T 4.5801 7.9129 110.2224 60.7536 71.4008 173.2023 72 Y 4.8142 8.7026 120.5289 56.3430 40.3717 174.5330 73 E 5.2333 8.9421 122.9859 55.0739 32.4041 174.9959 74 T 5.0572 8.8820 117.2444 60.9137 71.6578 172.1963 75 Q 4.8834 8.6445 126.2679 54.9993 30.0326 175.2784 76 F 4.3540 9.6112 122.3203 58.5178 42.6332 173.2383 77 E 3.4327 9.5385 129.5407 57.7445 27.4345 173.3236 78 G 3.8327 7.8539 103.9845 44.1047 0.0000 171.8587 79 N 5.2170 8.7656 116.2510 52.0268 40.8140 174.1327 80 N 5.4441 9.2758 120.3348 51.5238 42.8972 173.6553 81 I 5.0889 8.8707 122.8119 59.6580 40.4091 174.5211 82 F 5.6359 8.9457 122.0475 55.4425 41.8694 173.6604 83 Q 4.9746 9.0842 118.7388 54.5123 32.8838 171.8664 84 P 4.3152 0.0000 0.0000 62.7747 31.8961 176.0642 85 L 4.4993 8.8917 123.7150 56.4214 43.2528 176.7808 86 Y 4.9958 7.5394 118.8168 56.4656 42.3437 173.5795 87 I 4.8688 7.8933 126.7318 59.6393 39.4506 174.6626 88 T 4.5976 8.6806 116.0773 59.3294 71.7563 174.9869 89 S 4.4281 8.7251 116.8307 60.7399 63.1163 175.0209 90 D 4.9952 7.8404 117.6500 52.7553 40.5408 175.3627 91 K 5.2777 8.4044 119.1702 55.1930 37.2783 175.0990 92 I 4.5490 8.4765 123.8259 59.4365 40.4338 174.4224 93 F 4.8418 9.3604 127.0218 56.2988 40.3352 175.0391 94 F 5.3056 9.5767 123.0493 55.9117 42.2878 174.4856 95 T 4.8990 8.8192 116.4285 60.5866 69.7980 172.7073 96 N 5.5938 8.6562 124.7838 51.9734 42.6719 173.2867 97 K 4.7150 9.2896 125.2684 55.1461 34.8311 174.8348 98 N 5.9260 9.2457 127.0337 51.2078 42.5407 172.6814 *100 D 4.7354 8.3425 116.6246 53.1398 40.4854 175.8171 101 R 3.8883 8.4541 117.7792 58.6110 30.0280 176.7109 102 A 4.2598 8.1167 118.5476 52.5004 19.3637 177.7870 103 G 3.9662 8.1351 104.0678 44.7543 0.0000 173.6558 104 Q 4.0667 8.0849 121.6973 55.7670 29.4663 174.8750 105 E 4.8692 8.6470 124.8300 55.0946 31.5075 175.2399 106 T 4.8332 8.9826 119.9516 61.9364 72.0552 173.2585 107 N 5.1506 9.5382 123.5754 51.9160 41.7011 174.0614 *109 I 4.4844 7.9725 120.0607 61.3809 39.2134 174.8073 110 V 4.7358 8.8727 126.2746 61.0305 34.6064 174.1153 111 V 4.4979 8.8936 128.1682 61.1758 33.3128 174.2378 112 A 5.0459 8.7995 130.8143 51.1604 21.1003 175.8527 113 G 4.9433 9.2655 106.8639 45.2443 0.0000 173.6947 114 K 4.1994 8.9813 118.1471 57.4209 31.9799 177.8682 115 G 3.8643 8.3307 115.8980 46.0720 0.0000 173.8506 116 N 4.4215 7.6098 116.9135 52.5705 39.1322 174.5581 117 A 4.2945 8.2033 123.8917 51.6603 19.3180 177.4040 118 L 4.4235 8.1251 119.5980 54.8317 42.4965 178.2693 119 T 4.3731 8.9436 113.4591 60.4269 71.3013 174.2440 120 P 4.3243 0.0000 0.0000 65.8589 31.1949 178.8934 121 E 4.0090 8.1504 116.9285 59.3598 29.3683 179.0673 122 E 4.1503 8.2879 118.5924 59.5460 29.5034 179.0862 123 N 4.4212 8.8335 117.0146 56.2515 38.5014 177.0971 124 E 3.8994 8.3159 120.8288 59.2394 29.7458 178.8425 125 I 3.3101 7.9034 120.0623 64.0725 37.0442 178.0480 126 L 4.3281 8.3612 121.3370 58.4189 41.9050 179.1394 127 V 3.5627 7.9872 118.1683 66.1538 31.3481 177.9970 128 Q 3.8916 8.1290 117.7856 58.9419 28.4680 178.7919 129 F 4.3962 8.0870 118.5891 60.3788 38.8544 177.4232 130 A 4.0736 8.5443 120.8915 55.6783 18.2125 179.3147 131 H 4.1979 8.3654 114.8422 59.1553 28.5853 177.5968 132 E 4.0274 8.2887 119.8067 58.7930 29.5828 178.0864 133 K 4.3669 8.1115 115.1791 55.1591 33.0410 176.1834 134 K 3.8189 7.8589 116.9610 57.9144 29.3961 176.3426 135 I 4.4164 7.9474 119.6291 58.5919 38.9743 174.6244 136 P 4.2777 0.0000 0.0000 62.8674 31.8615 177.7074 137 V 3.5950 8.5938 122.1576 65.8071 31.5729 177.0813 138 E 4.2795 8.1497 115.0982 57.5127 30.0793 176.5679 139 N 4.7248 8.4154 117.7303 53.2713 38.8012 173.9078 140 I 4.3519 7.4528 120.3851 60.5463 37.8833 175.2112 141 L 4.7352 8.9004 128.1127 52.8287 44.4256 175.7383 142 N 4.6901 8.7539 121.0532 53.1424 38.6035 175.4652 143 I 4.1160 8.6050 125.9112 63.1597 37.8244 177.7924 144 L 4.0250 8.0697 120.6614 58.3643 41.5680 178.7837 145 A 4.1981 8.1387 119.1546 54.0826 18.3112 177.8928 146 T 4.3946 7.7055 105.8714 61.4138 69.0199 174.5763 147 D 3.9311 8.0018 123.3790 54.0373 39.5668 175.5611 148 T 4.3004 7.5487 112.7674 61.0252 69.3823 175.7158 149 C 4.2807 7.0766 119.7248 55.2654 41.0974 171.6092 150 P 4.3848 0.0000 0.0000 62.4785 31.4716 176.7822 151 E 4.2761 8.6801 119.3589 56.9643 29.3309 177.0659 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 3 F 8.32 4.86 0.00 3.05 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 4 A 8.30 4.71 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 5 E 9.12 4.62 0.00 2.19 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 0.00 2.41 2.40 0.00 6 L 8.18 4.27 0.00 1.70 1.77 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.41 4.20 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 8 G 7.92 3.74 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 9 K 7.62 4.45 0.00 1.67 1.46 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.31 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.00 1.38 7.81 10 W 8.29 5.21 0.00 2.82 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 11 Y 9.17 5.40 0.00 3.08 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 12 T 8.98 4.71 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 1.07 0.00 0.00 13 I 9.07 4.30 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.29 0.93 0.00 0.00 14 V 7.49 5.06 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 0.85 0.00 0.00 0.89 0.00 0.00 15 I 8.58 5.06 1.65 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 0.79 0.42 0.77 0.00 0.00 16 A 9.32 5.65 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 17 A 8.33 4.94 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 18 D 8.94 4.36 0.00 2.81 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 19 N 7.79 4.74 0.00 2.80 2.80 0.00 0.00 6.78 6.74 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 20 L 8.34 3.95 0.00 1.71 1.68 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.10 4.29 0.00 2.02 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 2.40 2.21 0.00 22 K 8.28 4.04 0.00 1.94 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.60 7.81 23 I 7.41 4.30 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.87 0.00 0.00 24 E 7.58 4.21 0.00 2.19 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 0.00 2.32 2.42 0.00 25 E 8.57 3.79 0.00 1.96 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 2.34 2.39 0.00 26 G 9.14 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.25 3.87 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 0.00 0.00 0.00 28 P 0.00 4.38 0.00 2.15 2.17 0.00 3.74 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 1.99 1.97 0.00 29 L 7.94 4.80 0.00 1.78 1.81 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.57 3.89 0.00 1.74 1.82 0.00 3.37 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.31 0.00 31 F 6.54 5.08 0.00 2.60 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.01 4.71 0.00 3.29 3.13 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 0.00 0.00 0.00 0.00 33 F 9.68 4.73 0.00 3.05 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 34 R 9.25 4.37 0.00 1.91 1.97 0.00 3.71 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 35 H 7.97 5.07 0.00 3.22 3.12 0.00 5.80 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 36 I 8.61 5.10 2.17 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.95 0.00 0.00 37 D 9.37 5.29 0.00 2.59 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 38 C 9.38 4.98 0.00 2.87 2.85 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 39 Y 8.94 4.60 0.00 3.00 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 40 K 9.18 3.92 0.00 2.06 1.90 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.58 7.81 41 N 8.48 3.98 0.00 2.90 2.92 0.00 0.00 7.22 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 42 C 8.45 4.26 0.00 3.20 3.22 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 43 S 8.11 4.39 0.00 4.13 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 0.00 44 E 8.08 5.52 0.00 2.21 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 2.04 2.16 0.00 *46 E 8.46 4.51 0.00 2.23 2.20 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 2.31 2.37 0.00 47 I 8.67 5.02 1.70 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.91 0.00 0.00 48 T 8.89 5.08 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 1.06 0.00 0.00 49 F 8.35 5.31 0.00 3.06 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 50 Y 9.57 5.14 0.00 3.06 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 51 V 8.65 5.16 2.35 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 1.23 0.00 0.00 1.18 0.00 0.00 52 I 8.61 4.79 1.99 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 1.55 0.86 0.96 0.00 0.00 53 T 8.76 4.59 4.30 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 1.25 0.00 0.00 54 N 9.57 4.38 0.00 2.87 2.89 0.00 0.00 7.15 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 N 8.51 4.33 0.00 2.87 2.90 0.00 0.00 6.94 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 56 Q 7.93 4.72 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 57 C 8.90 4.83 0.00 2.85 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 58 S 9.43 4.63 0.00 3.91 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 59 K 8.63 3.60 0.00 1.33 1.43 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.94 0.53 7.81 60 T 8.38 4.59 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 61 T 8.08 4.90 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 1.07 0.00 0.00 62 V 8.57 4.64 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 0.70 0.00 0.00 0.74 0.00 0.00 63 I 8.41 4.58 1.80 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 1.18 0.57 0.27 0.00 0.00 64 G 8.63 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 0.00 0.00 0.00 0.00 65 Y 8.83 5.09 0.00 2.94 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 66 L 8.77 3.91 0.00 1.08 1.51 0.41 0.50 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 67 K 8.74 4.52 0.00 1.78 1.65 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.47 7.81 68 G 8.72 3.60 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 0.00 0.00 0.00 69 N 8.03 4.46 0.00 2.82 2.93 0.00 0.00 6.16 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 70 G 8.30 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 71 T 7.91 4.58 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 1.30 0.00 0.00 72 Y 8.70 4.81 0.00 1.43 2.06 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 73 E 8.94 5.23 0.00 1.98 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 2.25 2.21 0.00 74 T 8.88 5.06 4.54 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 1.34 0.00 0.00 75 Q 8.64 4.88 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 76 F 9.61 4.35 0.00 2.86 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 77 E 9.54 3.43 0.00 1.76 1.76 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 1.47 1.84 0.00 78 G 7.85 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 79 N 8.77 5.22 0.00 2.68 2.77 0.00 0.00 6.64 6.92 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 80 N 9.28 5.44 0.00 2.92 2.77 0.00 0.00 6.47 8.27 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 81 I 8.87 5.09 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.93 0.00 0.00 82 F 8.95 5.64 0.00 3.12 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 83 Q 9.08 4.97 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 84 P 0.00 4.32 0.00 1.81 1.40 0.00 3.37 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.72 0.00 85 L 8.89 4.50 0.00 1.12 1.35 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.54 5.00 0.00 3.12 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 87 I 7.89 4.87 1.77 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 1.11 0.65 0.79 0.00 0.00 88 T 8.68 4.60 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 1.01 0.00 0.00 89 S 8.73 4.43 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 90 D 7.84 5.00 0.00 2.99 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 91 K 8.40 5.28 0.00 1.84 1.63 0.00 1.94 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 92 I 8.48 4.55 0.87 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.36 -0.46 0.00 0.00 93 F 9.36 4.84 0.00 2.94 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 94 F 9.58 5.31 0.00 2.95 2.85 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 95 T 8.82 4.90 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 1.33 0.00 0.00 96 N 8.66 5.59 0.00 2.71 2.63 0.00 0.00 6.88 6.68 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 97 K 9.29 4.71 0.00 1.75 1.72 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.39 7.81 98 N 9.25 5.93 0.00 2.74 2.72 0.00 0.00 6.77 8.47 0.00 0.00 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 D 8.34 4.74 0.00 2.94 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 0.00 101 R 8.45 3.89 0.00 1.74 1.97 0.00 3.26 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 102 A 8.12 4.26 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 0.00 103 G 8.14 3.97 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 0.00 0.00 0.00 104 Q 8.08 4.07 0.00 2.04 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 105 E 8.65 4.87 0.00 2.00 1.87 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 2.25 2.48 0.00 106 T 8.98 4.83 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 1.27 0.00 0.00 107 N 9.54 5.15 0.00 2.78 2.75 0.00 0.00 6.64 7.41 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 *109 I 7.97 4.48 1.95 0.00 0.00 1.00 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 0.73 1.09 0.00 0.00 110 V 8.87 4.74 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 1.16 0.00 0.00 1.01 0.00 0.00 111 V 8.89 4.50 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 0.23 0.00 0.00 0.60 0.00 0.00 112 A 8.80 5.05 0.67 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 0.00 0.00 113 G 9.27 4.94 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 0.00 114 K 8.98 4.20 0.00 1.63 1.79 0.00 1.40 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.30 1.17 7.81 115 G 8.33 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 0.00 0.00 0.00 116 N 7.61 4.42 0.00 2.75 2.79 0.00 0.00 6.86 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 0.00 117 A 8.20 4.29 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 0.00 118 L 8.13 4.42 0.00 1.71 1.70 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.94 4.37 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 1.31 0.00 0.00 120 P 0.00 4.32 0.00 2.19 2.16 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 121 E 8.15 4.01 0.00 2.04 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 2.39 2.41 0.00 122 E 8.29 4.15 0.00 2.44 2.29 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 2.71 2.54 0.00 123 N 8.83 4.42 0.00 2.98 2.91 0.00 0.00 6.65 7.70 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 0.00 124 E 8.32 3.90 0.00 2.06 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 0.00 2.24 2.30 0.00 125 I 7.90 3.31 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.52 0.06 0.00 0.00 126 L 8.36 4.33 0.00 2.22 2.02 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.99 3.56 2.16 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 0.92 0.00 0.00 0.93 0.00 0.00 128 Q 8.13 3.89 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 129 F 8.09 4.40 0.00 3.29 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 0.00 130 A 8.54 4.07 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 0.00 0.00 131 H 8.37 4.20 0.00 3.34 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.29 4.03 0.00 2.04 2.31 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 2.42 2.43 0.00 133 K 8.11 4.37 0.00 1.84 1.88 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.67 7.81 134 K 7.86 3.82 0.00 1.96 1.97 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.56 7.81 135 I 7.95 4.42 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.94 0.00 0.00 136 P 0.00 4.28 0.00 2.19 2.02 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 137 V 8.59 3.59 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 1.03 0.00 0.00 0.95 0.00 0.00 138 E 8.15 4.28 0.00 2.13 2.06 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 2.29 2.34 0.00 139 N 8.42 4.72 0.00 3.00 2.97 0.00 0.00 6.90 7.34 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 0.00 140 I 7.45 4.35 1.96 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 1.26 0.52 0.93 0.00 0.00 141 L 8.90 4.74 0.00 1.57 1.52 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.75 4.69 0.00 2.62 2.79 0.00 0.00 7.00 7.45 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 0.00 143 I 8.60 4.12 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.71 0.00 0.00 144 L 8.07 4.02 0.00 1.80 1.71 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.14 4.20 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 0.00 146 T 7.71 4.39 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 1.26 0.00 0.00 147 D 8.00 3.93 0.00 2.90 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 0.00 148 T 7.55 4.30 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 1.14 0.00 0.00 149 C 7.08 4.28 0.00 2.17 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 0.00 0.00 0.00 150 P 0.00 4.38 0.00 2.05 1.96 0.00 2.79 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 151 E 8.68 4.28 0.00 2.03 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 2.36 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.