NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4319 0.0000 0.0000 62.1856 33.0738 176.2142 3 R 3.8687 8.6151 118.7872 58.4212 30.0984 171.8040 4 V 4.9110 8.1798 109.0308 59.2754 36.5591 174.8863 5 V 4.1732 8.2178 114.8275 59.7564 32.4200 176.0974 6 P 4.2340 0.0000 0.0000 65.0042 31.6613 176.1827 7 D 4.6805 7.5130 116.0814 51.2581 41.5648 175.5472 8 Q 4.0301 8.5131 123.4497 58.5969 29.0073 177.7243 9 R 2.5610 8.0499 118.8936 59.4406 29.8143 178.2547 10 S 3.9811 8.0780 112.0107 61.0512 62.3605 175.7045 11 K 3.9103 7.8417 121.8673 59.7055 31.7623 178.5163 12 F 3.4440 7.8639 119.3321 60.8897 39.2726 176.2894 13 E 4.1020 8.0831 116.8131 57.7230 29.5949 177.7921 14 N 4.5989 8.0610 115.9447 54.2271 40.0203 175.8279 15 E 4.1949 8.0375 120.5436 55.8477 30.4148 177.5346 16 E 3.8833 9.0150 123.6145 59.3225 29.3330 178.6779 17 F 3.9333 8.2037 119.3495 61.4588 39.3916 176.9151 18 F 3.8831 7.9353 116.2497 60.5029 38.9196 177.5548 19 R 3.9947 7.6012 119.0370 58.8003 29.7554 178.9858 20 K 4.0532 8.0407 115.9598 57.9758 32.2548 178.1249 21 L 4.2195 8.3395 119.3420 54.0599 42.3550 177.5926 22 S 4.9249 7.7591 113.8049 58.5133 63.8032 173.8118 23 R 4.7142 7.4171 119.4933 53.9722 32.3817 175.8394 24 E 4.4028 8.6889 121.3741 57.4981 30.3308 175.9119 25 C 4.7034 8.9232 117.0511 56.6090 34.2501 172.5349 26 E 4.4860 8.8863 120.4678 56.8436 30.3255 175.5804 27 I 5.2051 7.6376 119.3304 58.2461 41.7379 173.9380 28 K 4.4643 7.8064 118.6758 55.4719 35.2947 173.3220 29 Y 4.7637 8.6226 129.2343 58.1213 39.4903 175.8749 30 T 4.3258 7.9233 115.5234 61.1711 69.9665 175.0729 31 G 3.4257 5.8260 110.4785 45.9257 0.0000 173.3203 32 F 3.6590 7.9762 117.6054 57.9119 36.5024 177.6445 33 R 4.0016 7.8731 121.3114 58.8548 30.3623 176.4759 34 D 4.6038 7.9781 115.4275 54.6018 40.2568 176.9483 35 R 4.3287 7.5773 118.4771 54.6939 31.1509 175.0489 36 P 4.4458 0.0000 0.0000 62.7111 33.2725 176.9852 37 H 4.1111 8.9323 120.2229 59.8718 29.6914 177.2444 38 E 3.9346 8.3000 119.5511 59.4727 29.1860 178.9556 39 E 3.8601 8.0689 118.5945 59.4184 29.7913 178.7014 40 R 3.8945 7.9185 118.0059 59.5299 29.9227 179.0336 41 Q 3.9214 8.1743 117.4297 58.8514 28.7196 178.6454 42 A 3.9873 7.6929 121.1889 55.1514 18.4869 179.4663 43 R 3.6248 8.4766 116.9661 59.8740 30.1247 178.2992 44 F 3.6290 8.3197 119.8591 61.8648 39.0431 177.0267 45 Q 3.6165 8.1640 116.5369 58.9897 28.5454 178.5933 46 N 4.1897 8.4906 117.4201 56.6778 38.6822 177.1834 47 A 4.0486 7.9576 121.6243 55.3551 18.3912 179.4571 48 C 4.2206 7.8485 115.2853 63.1600 27.9917 176.5979 49 R 3.9570 7.9455 118.0225 58.5640 29.6319 177.7674 50 D 4.8245 7.5812 116.9576 53.5040 41.2343 176.4167 51 G 3.8343 9.4075 108.8630 45.8827 0.0000 173.4295 52 R 4.8416 7.6168 113.6544 54.9608 32.9542 173.4990 53 S 4.8020 7.5072 113.3518 58.3948 66.1279 174.7205 54 E 5.1161 8.5164 121.1346 54.5736 32.6283 175.4041 55 I 5.1195 8.5940 123.6151 59.5043 42.3512 173.9373 56 A 5.1094 8.6647 126.2228 50.1149 22.2841 175.9675 57 F 4.2440 9.3768 120.9975 56.7394 39.0330 176.6973 58 V 3.5166 8.5215 124.6621 66.0228 31.5148 177.3280 59 A 4.1712 8.2790 120.5649 55.2085 18.1963 178.4094 60 T 4.1565 7.9785 103.2426 61.7421 69.7005 175.8145 61 G 3.8326 8.5312 110.2151 46.0386 0.0000 173.1798 62 T 4.3696 7.9132 117.1725 62.9223 69.1244 173.9958 63 N 5.2144 8.7896 124.2212 52.6643 40.4493 174.8685 64 L 4.7011 8.5313 120.3608 53.6325 46.6788 174.9801 65 S 4.9537 8.5889 118.7389 57.0371 64.9156 173.4760 66 L 4.6387 8.8160 123.3624 52.8516 45.0796 175.5208 67 Q 4.4824 8.2067 119.8965 53.9504 31.3687 176.6016 68 F 5.1646 7.8046 127.1387 55.1475 36.6107 174.7937 69 F 4.3044 7.4564 118.1805 54.9192 43.5367 173.3814 70 P 4.2247 0.0000 0.0000 65.1026 31.7480 176.5088 *80 T 4.4174 7.6068 115.0883 62.6153 69.4507 172.1631 81 P 4.5007 0.0000 0.0000 62.9529 32.7323 175.1767 82 S 4.8405 8.4214 114.5254 56.4665 64.5504 174.8804 83 R 4.7133 8.6249 122.7017 58.4336 30.1690 177.4954 84 E 4.0062 8.7457 118.8298 58.8258 30.0490 176.9860 85 Y 4.1388 7.9811 115.4150 58.7732 39.2360 174.5040 86 V 4.0672 8.3765 120.6424 60.6514 31.9223 172.4086 87 D 4.8758 8.9892 125.9295 52.5083 41.2339 176.7565 88 L 4.3652 8.2975 126.8956 56.0154 42.3361 177.3137 89 E 3.8401 7.9235 119.8777 56.0266 29.9713 181.3389 90 R 3.1041 7.2172 120.9418 58.3737 32.8543 176.1637 91 E 4.5092 7.8020 115.7937 54.4944 32.8535 174.3025 92 A 4.3600 8.4141 128.4661 52.4262 20.0348 177.5003 93 G 4.1068 10.1174 108.8673 44.9053 0.0000 173.2693 94 K 5.4153 7.4808 116.7354 55.5799 35.8137 175.7792 95 V 4.7577 9.1485 121.9371 60.4833 34.2638 173.9572 96 Y 4.9326 8.8523 121.1028 56.5081 39.8844 174.8700 97 L 5.7313 9.0881 123.8175 52.0504 45.9575 175.4300 98 K 5.1166 8.5198 120.5622 55.1237 36.0703 175.0123 99 A 5.1855 9.6383 129.4912 50.4053 22.1110 173.4918 100 P 5.2225 0.0000 0.0000 63.5234 33.0391 175.1964 101 M 4.5462 8.6597 117.6265 55.3196 35.2326 173.6403 102 I 4.6408 8.4601 120.2692 59.7034 37.9856 175.3612 103 L 4.5709 8.7688 129.1504 54.2242 42.4174 176.1723 104 N 4.0835 9.9669 125.1984 54.5159 36.3863 175.4215 105 G 4.3540 8.6466 103.4598 44.5006 0.0000 173.6766 106 V 4.9343 7.8005 119.0617 59.4047 34.1717 174.6355 107 C 4.7702 10.1272 123.0986 60.0791 29.1014 173.2805 108 V 4.9302 8.8515 115.9375 59.9755 36.8939 173.9727 109 I 5.1169 8.8840 121.7636 59.4964 41.0066 174.5993 110 W 5.2079 9.4741 135.0000 55.9975 32.4522 174.9180 111 K 4.8651 8.0469 126.2758 54.7350 35.4384 175.7394 112 G 3.9384 7.7715 110.7124 45.4378 0.0000 171.6754 113 W 5.4966 8.2283 116.5216 54.5606 31.9050 174.5904 114 I 5.0808 8.9796 121.1939 59.5309 41.2840 174.0589 115 D 5.0243 9.2184 127.0062 54.2034 41.5687 176.9050 116 L 4.2122 9.5097 127.6833 56.5561 41.9763 177.6030 117 Q 4.6929 9.4229 119.5248 56.8652 30.2582 176.9273 118 R 4.0648 8.3099 114.8265 57.1502 30.6565 177.2390 119 L 3.5040 8.6561 116.9150 55.0142 39.5370 173.1619 120 D 5.1826 7.6525 117.9088 51.5812 43.5545 174.8465 121 G 3.4925 7.1902 107.5865 45.9444 0.0000 172.7323 122 M 5.2788 5.8600 121.9817 53.2265 36.8562 173.9040 123 G 3.8722 8.1760 107.0918 46.4445 0.0000 171.1865 124 C 5.2027 7.9526 114.2896 57.7498 33.5039 172.4275 125 L 5.3304 9.0663 118.9762 53.2006 43.9076 175.6857 126 E 4.8358 9.3539 123.3436 53.9979 32.9469 174.6308 127 F 3.6770 8.5051 129.2999 58.3047 40.2085 175.0415 128 D 4.3665 7.8123 127.4632 52.4054 39.4373 176.0049 129 E 3.4721 7.8556 123.6081 58.6343 29.7208 177.0099 130 E 3.8135 8.0192 118.0764 59.3423 30.0831 178.1906 131 R 4.7953 8.4473 118.7579 58.6318 30.1615 178.7449 132 A 3.9168 7.7250 120.0887 55.5448 18.1828 179.8686 133 Q 3.9590 7.7636 114.6199 58.8545 29.0414 178.4579 134 Q 4.1980 7.8502 117.7734 57.5044 28.6675 175.9824 135 E 4.2862 8.1538 124.7376 56.5531 29.7259 176.2522 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 P 0.00 4.43 0.00 2.21 2.13 0.00 3.76 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 1.90 2.01 0.00 3 R 8.62 3.87 0.00 1.99 2.05 0.00 3.07 0.00 0.00 3.60 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 4 V 8.18 4.91 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 0.86 0.00 0.00 0.96 0.00 0.00 5 V 8.22 4.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 6 P 0.00 4.23 0.00 2.19 2.20 0.00 3.73 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 2.01 1.97 0.00 7 D 7.51 4.68 0.00 2.79 2.54 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 8 Q 8.51 4.03 0.00 2.42 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 9 R 8.05 2.56 0.00 1.32 1.75 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.24 0.00 10 S 8.08 3.98 0.00 4.05 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 11 K 7.84 3.91 0.00 1.93 1.85 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.57 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.59 7.81 12 F 7.86 3.44 0.00 2.59 2.79 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 13 E 8.08 4.10 0.00 1.91 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 2.36 2.46 0.00 14 N 8.06 4.60 0.00 2.82 2.86 0.00 0.00 7.02 8.11 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 15 E 8.04 4.19 0.00 2.35 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 2.43 2.58 0.00 16 E 9.02 3.88 0.00 2.03 1.97 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 2.34 2.35 0.00 17 F 8.20 3.93 0.00 2.88 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 18 F 7.94 3.88 0.00 2.98 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 0.00 0.00 0.00 19 R 7.60 3.99 0.00 1.76 1.91 0.00 3.25 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 20 K 8.04 4.05 0.00 1.52 1.67 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.50 7.81 21 L 8.34 4.22 0.00 1.23 1.13 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.76 4.92 0.00 4.03 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 23 R 7.42 4.71 0.00 1.63 1.85 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 24 E 8.69 4.40 0.00 1.86 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 2.28 2.32 0.00 25 C 8.92 4.70 0.00 3.00 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 26 E 8.89 4.49 0.00 2.06 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 2.34 2.27 0.00 27 I 7.64 5.21 1.79 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 0.76 1.52 0.70 0.00 0.00 28 K 7.81 4.46 0.00 1.75 1.57 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.33 7.81 29 Y 8.62 4.76 0.00 2.75 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 30 T 7.92 4.33 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 1.16 0.00 0.00 31 G 5.83 3.43 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 0.00 0.00 0.00 32 F 7.98 3.66 0.00 3.35 3.23 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 33 R 7.87 4.00 0.00 1.68 1.95 0.00 3.23 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 34 D 7.98 4.60 0.00 2.85 2.79 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 35 R 7.58 4.33 0.00 2.04 1.96 0.00 3.31 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 36 P 0.00 4.45 0.00 2.18 2.00 0.00 3.79 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 2.13 2.17 0.00 37 H 8.93 4.11 0.00 3.26 3.36 0.00 5.88 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 38 E 8.30 3.93 0.00 2.10 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 2.42 2.46 0.00 39 E 8.07 3.86 0.00 2.02 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 2.25 2.33 0.00 40 R 7.92 3.89 0.00 2.13 2.20 0.00 3.46 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 41 Q 8.17 3.92 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.15 0.00 42 A 7.69 3.99 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 43 R 8.48 3.62 0.00 1.79 1.56 0.00 2.21 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.00 44 F 8.32 3.63 0.00 2.33 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 45 Q 8.16 3.62 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 46 N 8.49 4.19 0.00 2.74 2.84 0.00 0.00 6.93 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 47 A 7.96 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 7.85 4.22 0.00 2.69 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 49 R 7.95 3.96 0.00 1.91 1.99 0.00 3.13 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 50 D 7.58 4.82 0.00 2.68 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 51 G 9.41 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 52 R 7.62 4.84 0.00 1.80 1.87 0.00 3.15 0.00 0.00 3.06 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.46 0.00 53 S 7.51 4.80 0.00 4.08 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 54 E 8.52 5.12 0.00 1.78 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 2.21 2.30 0.00 55 I 8.59 5.12 1.46 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.91 0.89 0.00 0.00 56 A 8.66 5.11 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 57 F 9.38 4.24 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 58 V 8.52 3.52 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 0.74 0.00 0.00 0.92 0.00 0.00 59 A 8.28 4.17 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 60 T 7.98 4.16 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 1.15 0.00 0.00 61 G 8.53 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 62 T 7.91 4.37 4.49 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 1.50 0.00 0.00 63 N 8.79 5.21 0.00 2.61 2.71 0.00 0.00 6.96 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 64 L 8.53 4.70 0.00 1.38 1.37 1.20 1.00 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 65 S 8.59 4.95 0.00 3.67 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.82 4.64 0.00 1.03 1.01 -0.35 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.21 4.48 0.00 1.92 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.41 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 68 F 7.80 5.16 0.00 2.58 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 69 F 7.46 4.30 0.00 2.82 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 70 P 0.00 4.22 0.00 2.21 2.22 0.00 3.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 *80 T 7.61 4.42 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 81 P 0.00 4.50 0.00 2.01 1.78 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 82 S 8.42 4.84 0.00 4.03 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 83 R 8.62 4.71 0.00 1.80 1.95 0.00 3.40 0.00 0.00 3.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 84 E 8.75 4.01 0.00 1.91 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 1.82 2.12 0.00 85 Y 7.98 4.14 0.00 3.13 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 86 V 8.38 4.07 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 0.89 0.00 0.00 0.80 0.00 0.00 87 D 8.99 4.88 0.00 2.86 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.30 4.37 0.00 1.66 1.70 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.92 3.84 0.00 1.93 1.79 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 2.31 2.22 0.00 90 R 7.22 3.10 0.00 1.73 1.97 0.00 2.79 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.24 0.00 91 E 7.80 4.51 0.00 1.75 1.72 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 2.17 2.18 0.00 92 A 8.41 4.36 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 93 G 10.12 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 0.00 0.00 0.00 0.00 94 K 7.48 5.42 0.00 1.96 1.83 0.00 1.10 0.00 0.00 1.56 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.52 7.81 95 V 9.15 4.76 2.19 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 1.08 0.00 0.00 0.93 0.00 0.00 96 Y 8.85 4.93 0.00 3.00 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 97 L 9.09 5.73 0.00 1.92 1.21 1.09 -0.55 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 98 K 8.52 5.12 0.00 1.73 1.49 0.00 1.37 0.00 0.00 0.81 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.44 7.81 99 A 9.64 5.19 1.50 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 0.00 0.00 100 P 0.00 5.22 0.00 2.18 2.21 0.00 4.20 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 101 M 8.66 4.55 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 102 I 8.46 4.64 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 1.33 0.67 1.00 0.00 0.00 103 L 8.77 4.57 0.00 2.01 1.95 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.97 4.08 0.00 3.12 2.93 0.00 0.00 7.25 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 0.00 105 G 8.65 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.80 4.93 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 0.94 0.00 0.00 0.92 0.00 0.00 107 C 10.13 4.77 0.00 2.62 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 0.00 108 V 8.85 4.93 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 0.77 0.00 0.00 1.18 0.00 0.00 109 I 8.88 5.12 1.91 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 1.20 0.68 1.04 0.00 0.00 110 W 9.47 5.21 0.00 3.59 3.34 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 0.00 111 K 8.05 4.87 0.00 1.55 1.53 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 1.37 7.81 112 G 7.77 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 0.00 113 W 8.23 5.50 0.00 2.73 1.74 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 0.00 114 I 8.98 5.08 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.57 0.00 0.00 115 D 9.22 5.02 0.00 3.04 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 0.00 116 L 9.51 4.21 0.00 1.70 1.80 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 9.42 4.69 0.00 1.88 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.03 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 118 R 8.31 4.06 0.00 2.07 2.00 0.00 3.39 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.17 0.00 119 L 8.66 3.50 0.00 1.89 1.76 0.89 0.17 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 0.00 120 D 7.65 5.18 0.00 2.83 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 0.00 121 G 7.19 3.49 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 0.00 122 M 5.86 5.28 0.00 1.69 1.34 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 1.96 0.00 123 G 8.18 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 0.00 124 C 7.95 5.20 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.07 5.33 0.00 1.90 2.01 1.44 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.35 4.84 0.00 2.05 1.74 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 2.22 2.27 0.00 127 F 8.51 3.68 0.00 1.69 2.65 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 0.00 128 D 7.81 4.37 0.00 2.60 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 0.00 0.00 0.00 0.00 129 E 7.86 3.47 0.00 2.25 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 2.36 2.40 0.00 130 E 8.02 3.81 0.00 1.95 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 2.27 2.39 0.00 131 R 8.45 4.80 0.00 1.90 1.92 0.00 3.54 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 132 A 7.72 3.92 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 0.00 133 Q 7.76 3.96 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 134 Q 7.85 4.20 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 135 E 8.15 4.29 0.00 2.15 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 2.50 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.