NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3236 8.3444 119.6871 55.8154 30.1717 174.1172 3 R 4.4275 8.3180 120.3721 54.3023 32.9090 169.3509 4 V 4.5835 9.0515 118.5255 59.8273 36.5555 174.2607 5 T 4.6047 8.3957 118.4519 61.7058 70.6857 173.6507 6 I 4.7021 8.1347 118.0232 58.9899 40.8877 174.4268 7 T 4.6406 8.2639 109.7583 59.5926 70.9217 173.2451 8 L 4.8255 8.2414 125.0656 52.4325 43.8233 176.3992 9 D 4.3883 8.7404 120.7223 54.2713 40.3969 177.3507 10 D 4.3948 8.7503 123.4508 58.0639 40.8977 178.3809 11 D 4.2872 8.2268 117.7386 57.1524 41.0312 177.5695 12 L 3.8620 8.4777 120.1796 58.4262 42.2388 178.9005 13 L 3.9440 7.8148 121.8501 59.0692 41.8962 179.4470 14 E 3.9580 7.9387 117.6450 61.6498 29.2789 180.9993 15 T 4.0761 7.6177 116.6965 66.2409 68.4657 176.4988 16 L 3.9259 8.1411 122.4260 58.4348 42.3860 178.6971 17 D 4.4142 8.6789 119.3330 57.1854 40.6813 179.1028 18 S 4.0973 8.1500 114.8760 61.5034 62.8498 176.2567 19 L 3.9357 7.5486 124.1463 57.6654 41.5353 178.4031 20 S 4.1445 7.7609 111.6195 61.9594 62.2947 176.1844 21 Q 4.4862 7.8142 120.1777 58.4445 28.7421 177.9346 22 R 4.1036 8.0805 118.6652 58.7041 31.4207 176.9486 23 R 4.5927 8.3054 114.7105 53.9057 30.7061 174.6586 24 G 3.7142 8.5425 111.7163 44.3424 0.0000 171.4937 25 Y 4.1963 8.2207 125.0787 58.4986 38.6174 176.4458 26 N 4.8522 8.5964 125.8458 53.3274 39.4361 175.2020 27 N 4.9784 7.7546 116.7930 50.9837 42.2416 173.2329 28 R 3.7697 8.6074 128.0651 59.6727 30.3122 177.9240 29 S 4.0669 8.1775 114.3830 62.0746 62.7740 176.3252 30 E 3.9309 9.1572 120.6738 59.8794 29.3343 179.4483 31 A 2.5800 7.2799 119.9986 54.9044 18.4219 179.3980 32 I 3.4874 7.6139 117.8293 64.6095 37.1606 178.4786 33 R 3.8826 8.1336 118.7306 59.8716 30.1813 178.5806 34 D 4.3017 8.4719 118.4881 57.8569 40.7213 179.2797 35 I 3.8646 7.7249 119.8059 63.6607 37.0334 178.3321 36 L 3.9821 8.3674 122.0214 58.2376 42.0269 179.1832 37 R 3.9962 8.8986 118.7015 58.8696 29.8085 179.3085 38 S 4.0637 8.0056 114.8032 61.8741 62.9871 175.8116 39 A 3.9551 7.7033 123.0810 55.3445 17.7857 179.2124 40 L 3.8756 8.0564 116.3735 57.9920 42.2708 179.4636 41 A 4.1933 8.0592 122.5335 56.4143 18.3910 179.6977 42 Q 3.9904 8.4546 120.8192 61.5193 28.3846 182.2692 43 E 4.7193 8.2013 119.7744 57.3260 29.5665 179.1920 44 A 5.0162 7.6894 124.1755 55.1012 24.8982 179.2807 45 T 4.0180 8.6644 110.1435 63.6376 69.2622 178.0193 46 Q 4.7293 7.5976 119.4227 53.1631 27.9717 179.2267 47 Q 4.5388 7.3913 123.6994 55.4500 32.7466 173.6697 *48 H 4.1407 8.7060 122.6044 55.3690 28.5267 171.7853 49 G 4.2091 9.1436 114.4395 45.5763 0.0000 174.8989 50 T 3.9084 7.3052 115.2410 63.5853 68.8239 173.2395 51 Q 4.8124 9.0000 125.5504 53.5361 33.5401 176.7563 52 G 4.1673 7.2325 109.5736 46.5586 0.0000 171.9588 53 F 5.2912 8.1501 123.7180 55.7333 43.7951 173.1744 54 A 4.8257 8.3342 117.2094 51.6280 23.3614 176.0824 55 V 4.5801 8.5337 121.3316 61.1038 33.6430 174.3407 56 L 4.8377 8.9318 132.0890 53.9569 42.8683 175.0249 57 S 5.0959 8.7780 122.3871 56.9057 65.7557 172.7865 58 Y 5.2264 8.1432 119.5467 56.5381 41.9364 173.0195 59 V 5.3298 8.4233 119.1531 61.3198 35.5856 173.5071 60 Y 5.1843 8.2011 123.0420 57.5982 41.3903 172.6353 61 E 4.8087 8.9456 120.8631 56.2888 31.2672 177.4693 *62 H 4.4819 9.0572 122.1084 55.1429 28.1520 175.5880 63 E 4.2487 8.0655 117.3765 58.4261 30.2411 181.8916 64 K 4.5290 7.9487 121.9940 54.1762 32.9254 183.7772 65 R 4.0348 8.9281 125.7108 58.6503 29.4770 174.2258 66 D 4.9876 8.0241 117.7845 53.9851 39.9736 179.5111 67 L 4.6850 7.4590 117.9098 56.4794 43.2864 181.3490 68 A 4.4663 8.0632 121.1844 55.3106 18.6905 180.1230 69 S 4.0885 8.4055 114.1637 62.6135 63.3617 177.2385 70 R 3.9270 8.3064 121.3856 62.2728 29.2162 180.6266 71 I 3.5440 7.2887 119.8273 64.0186 36.9837 178.2962 72 V 3.6871 7.4836 116.7831 65.3735 31.1589 177.9197 73 S 4.1325 7.7385 112.7862 61.3071 62.1042 175.9924 74 T 4.0015 8.2334 119.3324 65.7034 68.5554 175.7966 75 Q 4.1843 7.7290 121.4603 59.0982 29.2628 177.2735 76 H 4.2387 8.4341 116.1387 58.6636 28.6792 176.7092 77 H 4.2677 8.3157 120.3255 58.9065 30.9470 175.4275 78 H 5.1022 8.1473 115.8316 55.1028 28.5367 174.9393 79 H 4.4976 8.2163 112.8301 57.0992 28.8448 176.1310 80 D 4.4781 7.7775 118.7854 53.8864 40.1758 176.6272 81 L 4.6245 7.8359 119.2591 54.3970 43.4138 176.0695 82 S 4.5309 7.7659 113.4788 57.5680 62.8513 173.4369 83 V 3.9247 8.4367 128.4392 65.0026 32.1348 175.2821 84 A 4.3977 7.5972 119.2432 52.3647 22.5821 175.2623 85 T 4.6456 8.3222 115.5296 62.7446 71.6942 173.9465 86 L 4.3522 8.6906 130.1922 54.9177 43.5658 175.1017 87 H 5.3185 8.6946 124.4575 54.4733 33.0623 172.2097 88 V 4.3017 8.7919 125.1938 61.3807 34.3530 174.7586 89 H 5.0520 8.4839 125.8316 53.7920 26.2989 174.3965 90 I 3.8518 8.0605 115.7134 63.3507 38.0445 176.1696 91 N 5.1962 7.2147 119.5325 51.1102 39.0892 173.4146 92 H 4.2371 9.1407 115.7457 59.1163 30.3714 176.4847 93 D 4.9309 8.3083 115.3639 52.8834 40.6754 174.8869 94 D 5.2831 9.1213 120.2592 53.0266 43.8536 175.0588 95 C 5.0840 9.0224 119.3862 57.7700 32.2110 172.7790 96 L 4.7850 8.7628 125.4196 53.5076 43.6946 174.3894 97 E 5.0358 9.3546 128.4607 54.3160 32.5528 174.4561 98 I 4.7137 8.6769 127.1721 59.2992 40.4998 174.2628 99 A 5.0332 8.7985 128.4936 50.0681 22.0016 174.9606 100 V 4.4231 8.5055 123.3273 62.2325 33.4156 174.9764 101 L 5.3051 9.2051 126.5227 53.1227 46.2210 175.3818 102 K 4.3825 9.0756 121.7437 53.8572 35.7486 176.4232 103 G 3.8244 7.3605 113.9054 45.8789 0.0000 170.5126 104 D 4.6068 7.7749 124.1958 54.0241 41.2226 176.8904 *106 G 4.0685 7.8349 100.7459 44.7779 0.0000 173.9278 107 D 4.4581 8.1402 117.8412 56.8160 41.1918 179.2883 108 V 3.7636 7.7883 118.2952 66.2187 31.4178 177.5927 109 Q 3.9746 8.1564 118.8051 59.6739 28.9310 177.3936 110 H 3.9376 8.4198 118.4908 59.7861 29.5228 176.1525 111 F 4.1128 9.2474 121.9390 61.4765 39.4022 176.9012 112 A 4.3421 8.5214 120.3194 55.3156 18.2831 178.9421 113 D 4.3598 8.1575 117.4267 57.8903 40.7068 179.7070 114 D 4.5878 7.5837 113.2418 54.9933 40.4857 177.2746 115 V 4.0060 7.9988 119.7939 64.0263 33.8077 177.0059 116 I 3.7124 7.6295 118.8867 63.3127 36.5403 176.3395 117 A 3.8087 7.7882 126.0638 53.7498 18.6518 178.7743 118 Q 3.4946 7.2902 122.8987 54.3289 26.1402 178.6081 119 R 3.7146 7.9879 120.7936 56.2815 29.7515 174.8940 120 G 3.9549 8.9537 109.9339 44.4349 0.0000 173.2515 121 V 4.4215 7.2201 118.9217 61.6807 31.2880 175.1877 122 R 4.5097 8.3365 126.2262 55.3675 32.0987 176.1131 123 H 4.2212 8.8611 113.7525 56.5470 26.5015 175.3551 124 G 3.9957 8.1678 105.4329 47.3216 0.0000 173.3053 125 H 5.0737 9.5174 123.6283 54.5836 33.6546 171.6235 126 L 4.8861 8.4557 127.2146 53.3702 44.5297 175.4201 127 Q 4.3657 8.2646 124.5622 54.6766 31.7710 173.8549 128 C 4.6634 8.7271 124.2206 59.5249 29.7558 174.5268 129 L 4.6991 8.6515 120.5567 52.3866 42.8128 174.6514 130 P 4.9093 0.0000 0.0000 62.6456 31.6773 177.3804 131 K 4.2695 8.4687 120.1320 55.6273 32.6839 171.8236 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 Q 8.34 4.32 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 3 R 8.32 4.43 0.00 1.78 1.74 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 4 V 9.05 4.58 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 0.80 0.00 0.00 0.92 0.00 0.00 5 T 8.40 4.60 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 6 I 8.13 4.70 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 1.46 0.65 0.90 0.00 0.00 7 T 8.26 4.64 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 8 L 8.24 4.83 0.00 1.68 1.61 0.91 0.78 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 9 D 8.74 4.39 0.00 2.88 2.86 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 10 D 8.75 4.39 0.00 2.70 2.78 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 11 D 8.23 4.29 0.00 2.73 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 12 L 8.48 3.86 0.00 2.07 1.76 0.91 0.35 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 13 L 7.81 3.94 0.00 1.74 1.67 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.94 3.96 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 2.25 2.23 0.00 15 T 7.62 4.08 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 1.21 0.00 0.00 16 L 8.14 3.93 0.00 1.70 1.82 0.83 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.68 4.41 0.00 2.85 2.71 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 18 S 8.15 4.10 0.00 4.06 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 0.00 19 L 7.55 3.94 0.00 1.78 1.88 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.76 4.14 0.00 3.87 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 21 Q 7.81 4.49 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 22 R 8.08 4.10 0.00 1.80 2.09 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 23 R 8.31 4.59 0.00 1.90 1.88 0.00 3.22 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 24 G 8.54 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 0.00 0.00 0.00 25 Y 8.22 4.20 0.00 2.96 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 N 8.60 4.85 0.00 2.78 2.84 0.00 0.00 6.42 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 27 N 7.75 4.98 0.00 2.92 2.70 0.00 0.00 6.91 7.53 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 28 R 8.61 3.77 0.00 1.89 1.88 0.00 3.24 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 29 S 8.18 4.07 0.00 4.11 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 30 E 9.16 3.93 0.00 2.04 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 0.00 2.39 2.59 0.00 31 A 7.28 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.61 3.49 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.87 0.00 0.00 33 R 8.13 3.88 0.00 1.94 2.01 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 34 D 8.47 4.30 0.00 2.95 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 35 I 7.72 3.86 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.90 0.00 0.00 36 L 8.37 3.98 0.00 1.98 1.68 0.91 0.89 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 37 R 8.90 4.00 0.00 1.86 1.98 0.00 3.20 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 38 S 8.01 4.06 0.00 4.05 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 39 A 7.70 3.96 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 40 L 8.06 3.88 0.00 1.64 1.78 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.06 4.19 1.44 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 0.00 0.00 0.00 42 Q 8.45 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 43 E 8.20 4.72 0.00 2.10 1.84 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 2.26 2.19 0.00 44 A 7.69 5.02 1.37 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 0.00 0.00 0.00 45 T 8.66 4.02 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 46 Q 7.60 4.73 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 47 Q 7.39 4.54 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 *48 H 8.71 4.14 0.00 2.97 2.86 0.00 7.23 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.14 4.21 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 0.00 50 T 7.31 3.91 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 1.23 0.00 0.00 51 Q 9.00 4.81 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 52 G 7.23 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 0.00 0.00 0.00 53 F 8.15 5.29 0.00 3.10 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 A 8.33 4.83 1.20 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 0.00 0.00 55 V 8.53 4.58 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 0.93 0.00 0.00 0.93 0.00 0.00 56 L 8.93 4.84 0.00 1.92 1.80 1.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.78 5.10 0.00 3.86 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 58 Y 8.14 5.23 0.00 3.05 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 59 V 8.42 5.33 2.22 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 1.11 0.00 0.00 1.05 0.00 0.00 60 Y 8.20 5.18 0.00 3.19 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 61 E 8.95 4.81 0.00 1.77 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 2.16 1.87 0.00 *62 H 9.06 4.48 0.00 2.87 2.98 0.00 7.16 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.07 4.25 0.00 1.98 1.88 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 2.20 1.87 0.00 64 K 7.95 4.53 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 0.99 7.81 65 R 8.93 4.03 0.00 1.82 1.88 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 66 D 8.02 4.99 0.00 2.68 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 67 L 7.46 4.68 0.00 1.46 1.57 0.92 1.23 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 68 A 8.06 4.47 1.49 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 0.00 0.00 69 S 8.41 4.09 0.00 3.91 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 70 R 8.31 3.93 0.00 1.81 1.94 0.00 3.28 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 71 I 7.29 3.54 1.71 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.82 0.00 0.00 72 V 7.48 3.69 2.15 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 1.02 0.00 0.00 1.04 0.00 0.00 73 S 7.74 4.13 0.00 3.95 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 74 T 8.23 4.00 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 1.04 0.00 0.00 75 Q 7.73 4.18 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.84 0.00 76 H 8.43 4.24 0.00 3.34 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.32 4.27 0.00 3.02 3.51 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.15 5.10 0.00 3.47 3.38 0.00 5.69 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 79 H 8.22 4.50 0.00 3.32 3.57 0.00 5.52 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.78 4.48 0.00 2.66 2.64 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 0.00 0.00 0.00 0.00 81 L 7.84 4.62 0.00 1.37 1.24 0.76 0.55 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 82 S 7.77 4.53 0.00 3.87 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 83 V 8.44 3.92 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 0.85 0.00 0.00 1.03 0.00 0.00 84 A 7.60 4.40 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 85 T 8.32 4.65 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 1.34 0.00 0.00 86 L 8.69 4.35 0.00 1.79 1.50 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.69 5.32 0.00 3.20 3.07 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.79 4.30 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 1.02 0.00 0.00 0.91 0.00 0.00 89 H 8.48 5.05 0.00 3.10 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.06 3.85 1.88 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 1.60 0.52 0.91 0.00 0.00 91 N 7.21 5.20 0.00 2.75 2.81 0.00 0.00 7.09 7.78 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 92 H 9.14 4.24 0.00 3.08 3.38 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.31 4.93 0.00 2.68 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 94 D 9.12 5.28 0.00 2.71 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 95 C 9.02 5.08 0.00 1.98 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 96 L 8.76 4.79 0.00 1.74 1.50 0.95 0.84 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 97 E 9.35 5.04 0.00 2.34 1.43 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 2.22 2.39 0.00 98 I 8.68 4.71 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.47 0.86 0.00 0.00 99 A 8.80 5.03 1.28 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 0.00 0.00 100 V 8.51 4.42 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 1.03 0.00 0.00 0.93 0.00 0.00 101 L 9.21 5.31 0.00 1.36 1.22 0.77 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 102 K 9.08 4.38 0.00 1.16 1.30 0.00 1.32 0.00 0.00 1.43 0.00 0.00 2.64 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.88 0.39 7.81 103 G 7.36 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 0.00 0.00 0.00 104 D 7.77 4.61 0.00 2.64 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 *106 G 7.83 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 0.00 0.00 0.00 107 D 8.14 4.46 0.00 2.66 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 0.00 108 V 7.79 3.76 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 1.02 0.00 0.00 0.86 0.00 0.00 109 Q 8.16 3.97 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.45 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 110 H 8.42 3.94 0.00 3.29 3.53 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 9.25 4.11 0.00 3.08 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 0.00 112 A 8.52 4.34 1.53 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 0.00 0.00 113 D 8.16 4.36 0.00 2.90 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 0.00 114 D 7.58 4.59 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.00 4.01 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 0.38 0.00 0.00 0.60 0.00 0.00 116 I 7.63 3.71 1.84 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 1.25 0.93 0.92 0.00 0.00 117 A 7.79 3.81 1.16 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 0.00 0.00 118 Q 7.29 3.49 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 119 R 7.99 3.71 0.00 1.83 1.78 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 120 G 8.95 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 0.00 121 V 7.22 4.42 2.15 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 0.65 0.00 0.00 0.82 0.00 0.00 122 R 8.34 4.51 0.00 1.83 1.45 0.00 3.38 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 123 H 8.86 4.22 0.00 3.36 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.52 5.07 0.00 3.26 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.46 4.89 0.00 1.68 1.49 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.26 4.37 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 128 C 8.73 4.66 0.00 2.91 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 0.00 129 L 8.65 4.70 0.00 1.66 1.59 0.92 0.87 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 0.00 130 P 0.00 4.91 0.00 2.05 2.09 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 131 K 8.47 4.27 0.00 1.72 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.