NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3768 8.4449 118.8102 56.1480 30.9514 174.6683 2 E 4.7473 8.5224 120.4173 54.5453 32.4303 173.3371 3 A 4.7977 8.8165 122.4736 50.9530 23.9952 174.6906 4 S 5.0672 8.5101 113.2806 56.1683 65.4943 175.3911 5 S 2.0000 8.6922 120.9941 60.3124 62.7238 175.8246 6 T 4.3850 7.5398 108.7935 61.7009 69.3688 175.0040 7 G 3.9410 7.7879 112.4732 44.7228 0.0000 174.9557 8 R 3.8961 8.6733 121.0909 58.7978 30.2044 177.0871 9 N 4.8783 8.0287 112.4279 52.2756 37.6280 174.4846 10 F 4.4870 7.9615 121.8528 58.9801 39.9560 174.7426 11 N 4.5897 8.3569 127.0748 50.6458 38.7044 174.6244 12 V 3.2225 7.5947 124.7819 64.5004 31.3994 177.9275 13 E 3.9474 7.9966 118.3749 59.0689 29.0677 178.7331 14 K 4.0914 7.6660 116.7289 57.5575 32.1970 178.1068 15 I 4.6074 7.5266 112.5113 60.3143 38.4809 175.5479 16 N 4.5683 7.3255 120.0404 55.1467 40.0188 173.8081 17 G 3.8452 8.9933 108.5739 43.6942 0.0000 172.0139 18 E 4.3855 8.3776 122.4231 56.2595 30.0627 177.6279 19 W 5.5768 8.5924 125.1515 55.6191 33.8143 174.0768 20 H 5.4389 9.5273 118.3156 53.1014 32.5878 173.0762 21 T 4.2366 8.9716 119.0595 64.2263 68.5860 173.7304 22 I 4.3148 8.6964 127.3596 62.5835 39.3671 175.9462 23 I 4.9975 7.0105 120.9940 59.4270 41.5762 174.1528 24 L 5.3182 8.7538 124.7966 53.0578 45.4234 175.3875 25 A 5.2314 9.1284 122.4900 50.9030 22.9686 175.0442 26 S 5.4208 8.6715 113.0934 57.6119 65.6620 174.0419 27 D 4.5992 8.9282 124.0948 54.1595 40.2522 176.7359 28 K 4.3426 8.1905 119.9731 53.9737 32.9510 176.3528 29 R 3.8732 8.2918 124.7760 58.8671 30.3347 178.5106 30 E 4.2774 8.0164 114.8785 58.3398 29.7974 179.1246 31 K 4.0719 7.9874 119.3161 58.2520 32.0599 177.9853 32 I 4.4317 7.4530 109.3661 60.2477 38.0003 175.3092 33 E 4.3358 7.6902 120.7853 55.5999 30.4382 177.0394 34 D 4.4464 8.7454 119.0933 57.8333 40.6890 178.0741 35 N 4.8553 8.1017 112.8071 52.8148 38.9674 174.8474 36 G 3.9898 8.2845 109.1323 44.7070 0.0000 175.4991 37 N 4.4417 8.8936 119.8728 55.2307 38.7482 175.9130 38 F 4.5285 8.2418 115.4160 57.1835 39.5452 176.9634 39 R 4.1546 7.5252 123.4995 54.7742 28.1370 174.5780 40 L 4.6139 7.3157 119.2754 52.3832 44.9033 176.4415 41 F 4.6990 9.0647 122.5772 55.5450 39.9541 175.1300 42 L 4.0738 9.2178 127.3565 55.3837 43.0086 176.9001 43 E 4.6166 9.0707 123.6726 57.7012 32.7311 175.8395 44 Q 5.0736 7.4451 114.1085 55.3764 32.0947 173.0404 45 I 4.8899 8.7844 121.3108 59.7998 40.5069 173.9806 46 H 5.3171 9.1888 127.5767 54.4000 31.7850 173.1408 47 V 4.2692 8.6964 127.1997 62.2161 32.3737 175.3631 48 L 4.7306 8.5435 127.4656 52.3232 44.6380 176.9779 49 E 4.0296 8.9064 119.8317 59.3396 29.6192 177.4740 50 K 4.8725 7.9184 114.5025 55.6673 34.8025 175.4027 51 S 5.2664 7.9681 114.0531 57.7634 67.1794 172.9669 52 L 5.1710 9.0615 119.7951 52.9070 45.0728 176.0286 53 V 4.6815 8.9294 124.0279 61.4687 33.3516 174.2290 54 L 4.8382 9.0467 128.8288 52.9772 44.0188 175.4902 55 K 4.8509 8.4001 123.7019 54.7754 34.3395 175.6152 56 F 5.5631 9.5423 123.4776 55.8182 43.4280 173.5249 57 H 5.5197 10.0360 114.9996 53.1775 32.2673 173.9622 58 G 5.3123 8.2422 118.2950 46.5912 0.0000 172.4696 *69 S 4.2659 7.3845 113.9882 57.8057 63.8560 172.1597 70 E 4.9270 8.7997 126.1000 55.6256 30.7976 175.4864 71 L 4.8916 9.0005 125.2132 53.3926 45.6471 175.1158 72 S 5.3709 8.8582 121.0236 57.0801 66.0949 173.2625 73 M 4.9248 9.2294 123.2182 53.4993 36.1171 174.4491 74 V 4.8158 8.5666 121.6877 61.2749 33.5506 174.4052 75 A 5.0072 9.2340 130.7502 50.7007 20.9019 175.2483 76 D 5.2174 9.0094 123.2479 52.5875 43.1927 176.5688 77 K 3.9265 8.4726 122.2062 57.2456 32.7100 177.2769 78 T 4.5190 7.7501 114.8863 60.6894 71.0926 174.1004 79 E 4.0977 8.9053 119.3926 58.0012 30.1935 176.6266 80 K 4.3762 7.5970 119.2105 54.3223 34.1171 175.8749 81 A 4.0162 8.4593 126.3837 53.7817 18.6115 177.6495 82 G 4.1356 8.6433 109.1052 46.0294 0.0000 172.5070 83 E 4.7101 7.6134 121.2059 54.5058 31.9555 174.3455 84 Y 5.0943 8.3919 123.2837 56.0103 42.2678 174.5414 85 S 5.2229 9.0044 116.0778 56.8631 66.9992 173.2424 86 V 4.7785 8.3477 119.5900 61.0168 35.0285 173.0500 87 T 4.8975 8.6598 120.9352 63.2176 69.2271 174.0737 88 Y 4.2898 9.2754 126.7025 57.9103 42.2686 173.9984 89 D 3.9773 9.1890 129.3657 55.1367 39.9400 170.5897 90 G 3.8065 7.7179 104.8506 44.1240 0.0000 170.4480 91 F 5.2205 9.0841 121.7163 56.7296 41.2272 175.3204 92 N 5.4101 8.4836 123.7198 51.4704 41.6517 173.7175 93 T 5.0942 8.4417 112.7862 59.8570 72.0363 172.8463 94 F 5.5929 8.9901 118.5847 55.8001 42.1549 172.9496 95 T 5.1867 9.1043 109.2539 60.4799 73.1111 172.9041 96 I 4.9778 8.8058 122.9487 57.6334 37.2511 174.7181 97 P 4.4078 0.0000 0.0000 65.2962 32.2014 177.0344 98 K 4.7890 7.8731 121.0543 55.5458 35.6781 174.5132 99 T 4.6189 9.0374 121.5334 60.4081 71.3914 173.4713 100 D 4.6547 7.0443 124.7486 52.6550 39.9665 177.5105 101 Y 4.2799 7.8050 123.5841 59.2694 37.2495 170.3302 102 D 4.6933 8.4850 116.8935 54.9635 42.1007 176.1524 103 N 5.1168 8.5535 114.0167 54.0871 41.2849 174.1703 104 F 5.9371 9.0370 112.8305 55.2080 42.2272 173.0605 105 L 4.7889 9.2240 121.2561 53.8743 45.1174 174.4656 106 M 5.3559 9.5420 126.1236 53.6349 34.6822 174.6088 107 A 5.0895 9.1859 125.6841 50.3301 22.5999 174.4051 108 H 5.2731 9.2586 120.8258 54.2496 32.8105 172.2058 109 L 5.2612 9.0952 127.6290 53.2649 45.6167 174.7872 110 I 4.6225 8.6810 126.5013 59.5179 39.7032 173.9671 111 N 5.0706 8.0836 125.9511 51.8378 41.2620 173.3567 112 E 5.3792 9.0657 124.2252 53.4095 33.2277 174.7496 113 K 4.7400 8.3698 124.9801 55.4412 36.1396 175.6420 114 D 4.4751 9.9738 126.0774 55.5254 38.4539 174.8134 115 G 3.8997 8.5048 104.6941 45.7096 0.0000 173.5938 116 E 4.6573 8.0227 120.1748 55.2217 31.9753 174.1114 117 T 5.6627 8.2262 112.2810 61.7483 70.5663 172.5150 118 F 5.0173 8.0222 118.9569 55.8981 41.8630 172.5874 119 Q 4.8876 9.5956 119.2220 54.5147 30.8781 174.6515 120 L 5.2615 8.9145 125.0274 53.5425 45.5870 174.8821 121 M 5.3559 9.3705 125.0961 53.5449 35.6359 174.8711 122 G 4.2445 9.2662 109.1593 44.1729 0.0000 171.0630 123 L 4.6700 7.8870 125.5938 52.9326 44.2872 174.6634 124 Y 5.2396 9.0460 124.1641 56.1600 41.4406 175.0152 125 G 4.7086 9.3595 109.3198 44.5369 0.0000 174.0978 126 R 3.6406 9.0087 121.5275 58.2275 30.8758 177.1563 127 E 4.4896 7.9987 117.4900 53.9451 31.4870 174.6838 128 P 4.4189 0.0000 0.0000 64.0272 31.2317 175.4661 129 D 4.7186 7.4357 115.6030 53.1567 44.5205 173.3684 130 L 4.9498 7.9533 120.3083 51.6593 45.9007 177.3674 131 S 4.3688 8.3733 115.2214 58.2483 64.8945 175.2477 132 S 4.1313 8.6650 118.4117 61.9069 62.4818 176.4264 133 D 4.3277 8.0591 121.7168 57.3796 40.6870 178.7877 134 I 3.5506 7.6759 120.0868 64.2180 37.0547 178.6219 135 K 3.9842 8.1339 119.3925 59.4111 31.8101 179.0214 136 E 3.9408 8.4622 119.7833 59.3413 29.5886 178.9460 137 R 3.8808 8.0981 118.1922 59.2596 29.9698 178.8415 138 F 4.1484 8.3522 120.1855 61.1958 39.4270 177.0425 139 A 3.8210 8.0353 120.4673 55.2218 18.1269 179.6515 140 Q 3.8952 8.1954 116.6340 58.9446 28.9114 178.7373 141 L 3.9071 7.7403 121.4119 58.2256 42.0759 178.7503 142 C 4.0042 7.9164 117.0252 62.7173 28.0332 175.6320 143 E 3.8678 8.1049 120.7904 59.4005 28.9902 178.7357 144 E 4.0433 8.0060 117.1797 58.5868 29.4354 177.9559 145 H 4.7876 7.2869 113.4947 54.7438 29.2164 174.6817 146 G 3.7881 7.9168 108.1670 46.5059 0.0000 173.8136 147 I 4.3193 7.5910 120.8756 58.7670 38.3557 176.1310 148 L 4.2019 8.2127 125.7047 54.3122 42.4189 178.4398 149 R 3.8884 8.6683 120.8071 59.3904 30.1338 178.7170 150 E 4.0631 8.1535 113.9048 58.2399 30.0924 176.9629 151 N 4.8174 8.4119 117.4237 52.9433 38.8327 173.4073 152 I 4.9080 7.7126 120.0401 59.6149 39.3354 175.1810 153 I 4.4257 8.9979 128.3101 59.2701 39.7588 174.4314 154 D 4.7420 8.8268 128.0752 53.8572 41.8276 175.7627 155 L 4.7782 9.1290 125.4957 54.5299 42.2148 178.5728 156 S 4.3007 8.7964 116.1138 60.5161 63.0131 174.8838 157 N 4.5679 8.0744 116.5042 53.3586 38.1011 174.7500 158 A 4.2121 7.6784 126.6289 52.4373 18.6603 176.9110 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 E 8.44 4.38 0.00 2.18 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 2.40 2.45 0.00 2 E 8.52 4.75 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 2.21 2.44 0.00 3 A 8.82 4.80 1.38 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 0.00 0.00 0.00 4 S 8.51 5.07 0.00 4.01 3.65 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 0.00 0.00 0.00 5 S 8.69 2.00 0.00 3.47 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 6 T 7.54 4.39 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 1.15 0.00 0.00 7 G 7.79 3.94 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 8 R 8.67 3.90 0.00 1.81 2.02 0.00 3.25 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 9 N 8.03 4.88 0.00 2.93 2.94 0.00 0.00 5.95 7.43 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 10 F 7.96 4.49 0.00 3.21 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 11 N 8.36 4.59 0.00 2.55 2.13 0.00 0.00 6.64 7.23 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 12 V 7.59 3.22 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 0.83 0.00 0.00 1.15 0.00 0.00 13 E 8.00 3.95 0.00 1.89 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 2.35 2.34 0.00 14 K 7.67 4.09 0.00 0.79 1.15 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.14 7.81 15 I 7.53 4.61 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.67 1.27 0.00 0.00 16 N 7.33 4.57 0.00 2.80 2.80 0.00 0.00 7.34 7.99 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 17 G 8.99 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 18 E 8.38 4.39 0.00 1.88 1.66 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 2.18 2.25 0.00 19 W 8.59 5.58 0.00 3.09 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 20 H 9.53 5.44 0.00 3.27 3.28 0.00 5.62 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 21 T 8.97 4.24 4.33 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 0.99 0.00 0.00 22 I 8.70 4.31 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.87 0.00 0.00 23 I 7.01 5.00 1.36 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 1.27 0.53 1.06 0.00 0.00 24 L 8.75 5.32 0.00 1.53 1.51 0.83 0.40 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 25 A 9.13 5.23 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 26 S 8.67 5.42 0.00 3.88 3.61 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 27 D 8.93 4.60 0.00 2.72 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 28 K 8.19 4.34 0.00 1.28 1.41 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.26 1.30 7.81 29 R 8.29 3.87 0.00 1.79 1.89 0.00 3.17 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 30 E 8.02 4.28 0.00 2.14 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 0.00 2.22 2.20 0.00 31 K 7.99 4.07 0.00 1.57 1.61 0.00 1.13 0.00 0.00 1.01 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.92 7.81 32 I 7.45 4.43 1.86 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 0.73 1.00 0.00 0.00 33 E 7.69 4.34 0.00 2.09 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 2.32 2.40 0.00 34 D 8.75 4.45 0.00 2.66 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 35 N 8.10 4.86 0.00 2.71 2.83 0.00 0.00 6.84 7.65 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 36 G 8.28 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 0.00 0.00 0.00 37 N 8.89 4.44 0.00 2.80 2.65 0.00 0.00 6.88 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 38 F 8.24 4.53 0.00 3.25 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 39 R 7.53 4.15 0.00 1.74 1.86 0.00 3.47 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 40 L 7.32 4.61 0.00 1.07 1.00 -0.25 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.06 4.70 0.00 2.81 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 42 L 9.22 4.07 0.00 1.74 1.63 0.01 0.49 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 43 E 9.07 4.62 0.00 1.93 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 0.00 2.31 2.30 0.00 44 Q 7.45 5.07 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 45 I 8.78 4.89 2.18 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.56 0.88 0.00 0.00 46 H 9.19 5.32 0.00 3.14 3.15 0.00 5.59 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.70 4.27 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 0.81 0.00 0.00 0.98 0.00 0.00 48 L 8.54 4.73 0.00 1.86 1.57 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.91 4.03 0.00 1.93 2.01 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 2.31 2.36 0.00 50 K 7.92 4.87 0.00 1.73 1.76 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 51 S 7.97 5.27 0.00 4.17 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 52 L 9.06 5.17 0.00 1.43 1.45 0.25 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.93 4.68 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 1.06 0.00 0.00 0.97 0.00 0.00 54 L 9.05 4.84 0.00 1.58 1.06 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.40 4.85 0.00 1.63 1.65 0.00 1.46 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.41 7.81 56 F 9.54 5.56 0.00 2.86 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 57 H 10.04 5.52 0.00 3.32 3.67 0.00 5.59 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 58 G 8.24 5.31 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 0.00 *69 S 7.38 4.27 0.00 3.98 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 70 E 8.80 4.93 0.00 1.92 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 2.31 2.26 0.00 71 L 9.00 4.89 0.00 1.73 1.53 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.86 5.37 0.00 3.78 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 73 M 9.23 4.92 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 74 V 8.57 4.82 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 0.85 0.00 0.00 0.98 0.00 0.00 75 A 9.23 5.01 1.41 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 0.00 0.00 0.00 76 D 9.01 5.22 0.00 2.67 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 77 K 8.47 3.93 0.00 1.58 1.51 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.14 1.55 7.81 78 T 7.75 4.52 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 1.18 0.00 0.00 79 E 8.91 4.10 0.00 1.96 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 2.29 2.27 0.00 80 K 7.60 4.38 0.00 1.83 1.89 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.28 7.81 81 A 8.46 4.02 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 82 G 8.64 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 0.00 0.00 0.00 0.00 83 E 7.61 4.71 0.00 1.94 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 2.04 2.24 0.00 84 Y 8.39 5.09 0.00 1.43 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 0.00 0.00 0.00 0.00 85 S 9.00 5.22 0.00 3.80 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 86 V 8.35 4.78 2.26 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 0.84 0.00 0.00 1.09 0.00 0.00 87 T 8.66 4.90 4.36 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 1.35 0.00 0.00 88 Y 9.28 4.29 0.00 2.85 2.82 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 89 D 9.19 3.98 0.00 1.87 2.39 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 90 G 7.72 3.81 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 0.00 0.00 0.00 91 F 9.08 5.22 0.00 3.13 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 N 8.48 5.41 0.00 2.81 2.68 0.00 0.00 6.08 6.64 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 93 T 8.44 5.09 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 0.96 0.00 0.00 94 F 8.99 5.59 0.00 3.10 3.09 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 0.00 0.00 0.00 95 T 9.10 5.19 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 1.23 0.00 0.00 96 I 8.81 4.98 1.73 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 0.92 1.43 0.96 0.00 0.00 97 P 0.00 4.41 0.00 2.11 2.21 0.00 4.10 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 98 K 7.87 4.79 0.00 1.98 1.89 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.88 7.81 99 T 9.04 4.62 4.11 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 0.00 0.00 0.00 0.95 0.00 0.00 100 D 7.04 4.65 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.80 4.28 0.00 3.19 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 0.00 102 D 8.49 4.69 0.00 2.65 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 0.00 103 N 8.55 5.12 0.00 3.13 3.01 0.00 0.00 6.65 8.13 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 0.00 104 F 9.04 5.94 0.00 3.12 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 0.00 105 L 9.22 4.79 0.00 0.53 0.77 0.14 0.68 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 0.00 106 M 9.54 5.36 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.64 0.00 107 A 9.19 5.09 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 0.00 108 H 9.26 5.27 0.00 3.10 3.14 0.00 5.53 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.10 5.26 0.00 1.67 1.52 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.68 4.62 1.77 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 1.02 0.84 0.81 0.00 0.00 111 N 8.08 5.07 0.00 1.98 1.42 0.00 0.00 6.53 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 0.00 112 E 9.07 5.38 0.00 2.06 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 2.23 2.05 0.00 113 K 8.37 4.74 0.00 1.98 1.68 0.00 2.24 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 114 D 9.97 4.48 0.00 2.86 2.73 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 0.00 115 G 8.50 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 0.00 116 E 8.02 4.66 0.00 2.17 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 2.39 0.00 117 T 8.23 5.66 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 1.23 0.00 0.00 118 F 8.02 5.02 0.00 3.22 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 0.00 119 Q 9.60 4.89 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 120 L 8.91 5.26 0.00 1.72 1.41 1.00 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 0.00 121 M 9.37 5.36 0.00 1.97 1.93 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 2.45 2.47 0.00 122 G 9.27 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 0.00 0.00 0.00 123 L 7.89 4.67 0.00 0.27 0.49 0.75 0.43 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 0.00 124 Y 9.05 5.24 0.00 2.60 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 0.00 125 G 9.36 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 0.00 0.00 0.00 0.00 126 R 9.01 3.64 0.00 1.56 1.74 0.00 2.52 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.47 0.00 127 E 8.00 4.49 0.00 2.17 1.83 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 2.29 2.29 0.00 128 P 0.00 4.42 0.00 1.99 2.02 0.00 3.60 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 129 D 7.44 4.72 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.95 0.00 1.61 1.52 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.37 4.37 0.00 4.06 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 0.00 132 S 8.66 4.13 0.00 4.07 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 0.00 133 D 8.06 4.33 0.00 2.71 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 0.00 134 I 7.68 3.55 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.59 0.00 0.00 135 K 8.13 3.98 0.00 1.96 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.67 7.81 136 E 8.46 3.94 0.00 2.06 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 2.30 2.38 0.00 137 R 8.10 3.88 0.00 1.91 1.87 0.00 3.14 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 138 F 8.35 4.15 0.00 3.00 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 0.00 139 A 8.04 3.82 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 0.00 140 Q 8.20 3.90 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 141 L 7.74 3.91 0.00 1.72 1.62 1.00 1.09 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 0.00 142 C 7.92 4.00 0.00 2.89 2.91 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 0.00 0.00 0.00 143 E 8.10 3.87 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 2.26 2.32 0.00 144 E 8.01 4.04 0.00 2.11 1.86 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 2.28 2.43 0.00 145 H 7.29 4.79 0.00 3.27 3.27 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.92 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 0.00 0.00 0.00 147 I 7.59 4.32 1.92 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 0.84 0.88 0.00 0.00 148 L 8.21 4.20 0.00 1.69 1.56 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.67 3.89 0.00 1.85 1.99 0.00 3.11 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 150 E 8.15 4.06 0.00 2.07 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 0.00 2.26 2.32 0.00 151 N 8.41 4.82 0.00 2.91 3.02 0.00 0.00 6.69 7.83 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 0.00 152 I 7.71 4.91 2.02 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 1.20 0.74 1.05 0.00 0.00 153 I 9.00 4.43 1.87 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 1.12 1.04 0.93 0.00 0.00 154 D 8.83 4.74 0.00 2.70 2.60 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 0.00 155 L 9.13 4.78 0.00 1.73 1.89 0.72 0.58 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 0.00 156 S 8.80 4.30 0.00 3.97 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 0.00 157 N 8.07 4.57 0.00 2.86 2.99 0.00 0.00 6.01 7.26 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 0.00 158 A 7.68 4.21 1.41 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.