NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.7723 8.2798 113.7753 62.2663 33.3502 173.6327 3 Q 4.3892 7.7675 117.1874 55.5292 32.3851 171.8569 4 L 5.1426 8.5979 119.1729 53.0926 45.7263 176.7932 5 V 4.5050 8.6889 124.1594 61.2275 33.6890 174.0440 6 E 5.3629 8.9193 128.4033 55.5658 32.3140 176.2416 7 S 4.5287 10.4476 122.4208 58.0273 66.0129 171.9105 8 G 4.3863 7.9619 105.4868 46.6159 0.0000 173.1696 9 G 3.6975 7.9484 104.2898 44.7967 0.0000 172.4755 10 G 3.9093 7.1922 104.4714 43.5663 0.0000 171.9117 11 S 5.3034 8.1815 114.9750 56.5585 64.8340 174.0534 12 V 4.5699 9.1103 122.4785 59.8214 35.2777 174.2670 13 Q 4.6950 8.5354 122.3351 54.9251 30.5702 174.8235 14 A 4.2148 8.2621 127.8914 54.3081 18.7469 178.4309 15 G 3.9340 9.3270 111.0009 45.1817 0.0000 174.0070 16 G 3.9050 8.1122 107.7712 45.9416 0.0000 172.8241 17 S 5.1332 8.0101 114.8323 56.8201 65.0334 172.6100 18 L 4.2572 7.7191 119.7839 54.0648 46.1639 172.8673 19 R 4.7874 8.1950 125.6020 54.4326 33.0472 173.8428 20 L 4.8984 8.3020 126.1817 52.9998 44.1006 175.4202 21 S 5.3337 8.9081 116.9599 56.7742 66.3676 171.8306 22 C 5.4769 9.6227 125.4036 55.3920 48.1350 172.6589 23 T 5.5185 9.1514 121.8280 60.7647 71.8122 172.7054 24 A 5.2387 8.4315 126.5991 50.5508 20.7299 176.4328 25 S 4.4133 8.5710 115.4848 57.1469 67.3077 172.6909 26 G 4.0841 8.9341 109.8882 46.3117 0.0000 172.3429 27 G 4.1313 7.8098 116.3288 44.8687 0.0000 170.7379 28 S 4.5144 8.5792 112.7570 57.9752 64.5705 173.9026 *31 S 4.2983 7.6983 115.6166 58.2546 63.4369 173.6016 32 Y 3.9371 8.6715 127.5588 60.7636 38.4605 177.8354 33 S 4.3429 8.3659 113.2641 60.6528 61.8094 175.5483 34 T 3.8777 7.9350 117.5863 64.8771 68.7288 174.1399 35 F 5.0841 8.4555 120.1759 55.8945 41.5925 175.3040 36 S 4.8068 8.8136 116.4842 56.8126 65.6217 173.4776 37 L 5.5775 8.9913 123.8767 53.3999 45.3078 175.6940 38 G 4.3420 8.5901 106.8992 45.0112 0.0000 171.9464 39 W 5.1585 9.8909 125.4317 55.4829 30.9985 175.6604 40 F 5.4632 9.7460 122.8398 55.8112 42.8655 174.0242 41 R 5.2631 8.9340 115.7199 54.5291 33.6123 174.1724 42 Q 4.6831 8.2536 119.2397 55.5926 31.0892 173.5253 43 A 4.5704 8.6015 129.8857 50.1112 20.2205 174.2886 44 P 4.3920 0.0000 0.0000 64.8284 31.4629 175.9242 45 G 4.4117 9.0162 118.7087 46.1634 0.0000 173.8896 46 Q 4.1496 7.0929 119.3280 54.8990 29.2694 176.4022 47 E 4.2664 8.3207 119.9615 55.6702 30.7399 176.0475 48 R 4.4686 8.3508 120.3986 55.9167 30.7130 175.1412 49 E 4.9335 8.8573 122.8915 54.5076 32.9576 174.6951 50 A 3.7251 8.3214 121.7224 51.2277 19.7385 176.7544 51 V 4.2725 8.4479 120.0031 64.1143 34.1334 175.3422 52 A 5.0757 7.6377 118.5109 51.1950 22.4795 174.8284 53 A 5.1078 8.7500 120.7928 50.5503 23.6808 175.2862 54 I 4.8144 9.8231 120.1193 59.2669 41.2000 174.6806 55 A 3.9650 8.5493 131.7339 51.4835 19.9623 178.2036 56 S 4.2869 8.7811 114.5892 60.1776 65.1725 175.1829 57 M 3.1313 7.3862 116.9213 56.7215 28.9021 177.2705 58 G 4.1621 8.3867 120.2270 45.9984 0.0000 173.9582 59 G 4.3014 8.4529 111.3697 46.3794 0.0000 173.9756 60 L 3.4373 6.3636 118.4941 49.8473 41.1140 175.6436 61 T 4.9461 7.9772 113.4073 60.1543 70.9580 173.2463 62 Y 4.6998 8.4418 119.6157 56.5139 42.1983 174.1225 63 Y 5.0845 8.4682 117.9406 55.9911 42.0812 175.2632 64 A 4.2090 9.0163 124.1954 52.0595 19.7010 178.6994 65 D 4.3155 8.9293 119.7061 57.6237 41.0561 179.4215 66 S 4.0711 8.0522 111.6025 60.6579 62.8489 175.1727 67 V 3.8392 7.2790 112.3524 60.2442 32.5622 175.2250 68 K 4.0064 7.8022 122.7138 57.4704 32.6045 174.9216 69 G 4.1610 8.7661 114.1667 46.0162 0.0000 174.7836 70 R 4.2545 7.8050 117.6148 58.2841 30.9550 176.5423 71 F 4.7652 7.9193 115.3832 57.8497 40.0914 175.8027 72 T 4.5685 8.7933 118.6955 62.4703 72.1185 172.6127 73 I 5.1980 9.0088 128.0280 60.1264 39.7222 174.7039 74 S 5.0074 9.4658 122.7795 57.3606 67.0778 172.4504 75 R 5.1905 8.4811 114.8829 54.9129 32.7374 174.6597 76 D 4.7631 9.4896 120.7779 52.2451 41.9378 175.7927 77 N 4.6263 8.9808 122.5835 55.9517 39.2127 176.8779 78 A 4.0859 8.1680 120.1383 55.0249 18.4887 178.2943 79 K 4.1025 10.0082 111.7829 55.7942 33.2745 176.2587 80 N 3.1400 7.6627 116.3804 53.7736 36.3519 173.8757 81 T 5.1429 6.7250 112.9861 61.9715 73.7483 174.7973 82 V 4.9747 9.2647 125.5862 61.7821 34.3275 174.6058 83 T 5.2476 9.5752 122.9527 61.7877 72.7566 172.4271 84 L 4.8778 8.5965 128.0185 53.2273 44.6837 174.7552 85 Q 4.3751 8.9020 129.1291 54.8645 30.7102 174.3660 86 M 3.6707 7.9911 128.3251 54.2175 32.5023 176.7364 87 N 4.2300 8.5940 121.7383 54.9620 38.9463 176.6216 88 N 4.7386 7.7015 119.0743 51.8371 37.1500 173.3543 89 L 4.4940 8.2791 122.3383 54.8497 43.3155 177.0690 90 K 4.9255 8.9040 121.6368 53.7549 35.6369 175.6393 91 P 3.9129 0.0000 0.0000 65.7243 31.4539 178.5802 92 E 4.1453 8.1223 116.1884 58.7585 29.5349 177.5246 93 D 4.6922 8.7547 118.5968 56.0936 41.3412 176.7363 94 T 4.2570 7.7853 116.4436 64.1638 68.9624 173.6781 95 A 4.3200 8.5534 127.7923 52.0607 24.1111 174.2249 96 I 4.6379 7.5526 119.5303 60.2811 39.1865 174.0082 97 Y 5.1133 9.1358 128.0601 57.1982 39.5454 174.5084 98 Y 5.1806 9.5992 122.1172 56.0039 41.1600 173.7860 99 C 4.4097 8.9742 121.2226 54.9240 47.2537 172.2185 100 A 4.8736 7.6997 125.0759 50.5510 22.6113 174.8311 101 A 5.6000 9.1094 120.8533 50.8798 23.3996 175.8335 102 V 4.4117 8.7290 119.0200 60.1319 35.2475 174.7630 103 R 3.7611 8.1137 124.4899 54.3225 27.9805 176.5803 104 G 3.8812 7.6518 114.9071 45.4699 0.0000 169.4941 105 Y 4.3526 8.2653 122.4435 56.7575 41.7739 174.1874 106 F 4.7020 6.0427 116.2616 56.5547 40.0901 173.6384 107 M 4.4527 8.6808 119.9279 53.9793 32.2716 175.5775 108 R 3.8307 6.8559 113.7499 54.1228 32.0882 174.0598 109 L 3.6473 8.1529 120.5018 54.4832 41.4888 174.8244 110 P 4.1378 0.0000 0.0000 62.4995 31.9616 174.7505 111 S 5.0131 8.1011 111.6537 56.0905 65.8729 174.8736 112 S 4.0537 9.0895 115.8729 62.2613 62.5545 177.0857 113 H 4.4066 8.0789 115.5760 58.7183 28.5599 176.2576 114 N 4.4492 8.1877 115.4278 54.5814 38.6385 175.0114 115 F 4.6804 7.7952 117.0061 55.7165 40.9499 175.3967 116 R 4.6253 8.3954 118.1509 56.7704 31.9037 175.4072 117 Y 5.1970 8.3794 118.1252 56.3452 39.7690 175.2255 118 W 5.3595 9.0146 122.5388 55.0020 33.4815 175.2599 119 G 4.2482 9.2364 110.2660 45.3551 0.0000 173.7796 120 Q 4.7090 8.9238 116.8772 55.5158 29.0661 176.6892 121 G 3.7298 11.3000 105.2247 45.6868 0.0000 173.9795 122 T 4.4818 7.8270 114.2524 62.2255 73.1174 173.2985 123 Q 4.3693 8.8419 129.0493 56.0604 30.7561 174.8118 124 V 4.7726 8.7996 125.5082 61.5008 34.9786 174.0351 125 T 4.8667 9.0091 124.7344 61.8802 71.3577 172.9804 126 V 5.4723 9.2198 127.6810 60.4438 33.2749 175.0426 127 S 4.8963 8.3945 121.0306 56.0645 66.7598 173.2713 128 S 4.4230 8.6853 117.7829 59.0334 63.2005 174.8732 *129 R 4.1503 8.3598 121.6485 56.5285 29.8986 176.2310 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 V 8.28 4.77 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 0.63 0.00 0.00 -0.19 0.00 0.00 3 Q 7.77 4.39 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 4 L 8.60 5.14 0.00 1.59 1.54 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.69 4.50 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 0.99 0.00 0.00 0.94 0.00 0.00 6 E 8.92 5.36 0.00 2.08 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 2.39 2.38 0.00 7 S 10.45 4.53 0.00 3.41 3.73 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 8 G 7.96 4.39 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 0.00 9 G 7.95 3.70 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 0.00 0.00 0.00 10 G 7.19 3.91 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 0.00 0.00 0.00 11 S 8.18 5.30 0.00 3.85 3.84 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 12 V 9.11 4.57 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 0.67 0.00 0.00 0.92 0.00 0.00 13 Q 8.54 4.70 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 14 A 8.26 4.21 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 15 G 9.33 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 16 G 8.11 3.91 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 0.00 0.00 0.00 17 S 8.01 5.13 0.00 3.82 3.70 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 18 L 7.72 4.26 0.00 1.55 1.14 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.20 4.79 0.00 1.76 1.61 0.00 3.17 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 20 L 8.30 4.90 0.00 0.52 0.64 0.14 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.91 5.33 0.00 3.88 3.70 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 22 C 9.62 5.48 0.00 2.97 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 23 T 9.15 5.52 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 1.17 0.00 0.00 24 A 8.43 5.24 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 25 S 8.57 4.41 0.00 3.81 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 26 G 8.93 4.08 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 0.00 0.00 0.00 27 G 7.81 4.13 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 0.00 0.00 0.00 28 S 8.58 4.51 0.00 3.99 3.98 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 *31 S 7.70 4.30 0.00 3.98 3.91 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 32 Y 8.67 3.94 0.00 3.00 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 33 S 8.37 4.34 0.00 4.09 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 34 T 7.93 3.88 4.64 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 1.10 0.00 0.00 35 F 8.46 5.08 0.00 2.46 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 36 S 8.81 4.81 0.00 3.48 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 37 L 8.99 5.58 0.00 1.63 1.57 0.89 0.91 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 38 G 8.59 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 0.00 0.00 0.00 0.00 39 W 9.89 5.16 0.00 3.37 3.38 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 40 F 9.75 5.46 0.00 3.29 3.29 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 0.00 0.00 0.00 41 R 8.93 5.26 0.00 0.88 0.79 0.00 2.70 0.00 0.00 2.92 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.00 42 Q 8.25 4.68 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 43 A 8.60 4.57 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 44 P 0.00 4.39 0.00 2.07 2.05 0.00 3.67 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 2.05 2.11 0.00 45 G 9.02 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.09 4.15 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 47 E 8.32 4.27 0.00 1.98 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 2.31 2.30 0.00 48 R 8.35 4.47 0.00 1.75 1.83 0.00 3.28 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.10 0.00 49 E 8.86 4.93 0.00 2.08 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 2.20 2.22 0.00 50 A 8.32 3.73 0.72 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 0.00 0.00 51 V 8.45 4.27 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 1.45 0.00 0.00 1.02 0.00 0.00 52 A 7.64 5.08 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.75 5.11 1.46 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 0.00 0.00 54 I 9.82 4.81 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.90 1.08 0.00 0.00 55 A 8.55 3.97 0.66 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 0.00 0.00 0.00 0.00 0.00 56 S 8.78 4.29 0.00 4.29 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 0.00 57 M 7.39 3.13 0.00 1.92 2.41 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.49 0.00 58 G 8.39 4.16 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 0.00 59 G 8.45 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 0.00 0.00 0.00 0.00 60 L 6.36 3.44 0.00 1.86 1.44 0.94 0.68 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 61 T 7.98 4.95 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 1.27 0.00 0.00 62 Y 8.44 4.70 0.00 2.91 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 63 Y 8.47 5.08 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 9.02 4.21 1.29 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 0.00 0.00 0.00 0.00 0.00 65 D 8.93 4.32 0.00 2.71 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 66 S 8.05 4.07 0.00 3.89 3.98 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 67 V 7.28 3.84 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 0.06 0.00 0.00 0.92 0.00 0.00 68 K 7.80 4.01 0.00 1.74 1.67 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.32 7.81 69 G 8.77 4.16 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 0.00 70 R 7.80 4.25 0.00 2.03 2.15 0.00 3.27 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 71 F 7.92 4.77 0.00 2.86 3.03 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 72 T 8.79 4.57 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 1.29 0.00 0.00 73 I 9.01 5.20 2.19 0.00 0.00 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 1.52 1.36 0.97 0.00 0.00 74 S 9.47 5.01 0.00 3.91 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 75 R 8.48 5.19 0.00 2.01 2.04 0.00 3.05 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 76 D 9.49 4.76 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.98 4.63 0.00 2.85 3.04 0.00 0.00 7.14 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 78 A 8.17 4.09 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 79 K 10.01 4.10 0.00 1.71 1.77 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.60 7.81 80 N 7.66 3.14 0.00 2.61 2.20 0.00 0.00 6.68 6.66 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 81 T 6.73 5.14 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 1.29 0.00 0.00 82 V 9.26 4.97 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 1.31 0.00 0.00 1.05 0.00 0.00 83 T 9.58 5.25 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 1.27 0.00 0.00 84 L 8.60 4.88 0.00 0.38 0.30 1.07 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.90 4.38 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 86 M 7.99 3.67 0.00 1.04 1.46 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.00 87 N 8.59 4.23 0.00 2.73 2.82 0.00 0.00 6.91 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 88 N 7.70 4.74 0.00 2.74 2.77 0.00 0.00 6.98 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 89 L 8.28 4.49 0.00 1.70 1.61 0.79 0.91 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 90 K 8.90 4.93 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.62 7.81 91 P 0.00 3.91 0.00 2.19 2.14 0.00 3.61 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 2.15 0.00 92 E 8.12 4.15 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 93 D 8.75 4.69 0.00 2.89 3.06 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 94 T 7.79 4.26 4.39 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 1.34 0.00 0.00 95 A 8.55 4.32 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 96 I 7.55 4.64 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 1.29 0.99 0.00 0.00 97 Y 9.14 5.11 0.00 3.01 3.17 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 98 Y 9.60 5.18 0.00 3.29 3.26 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 99 C 8.97 4.41 0.00 2.27 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 0.00 100 A 7.70 4.87 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.11 5.60 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.73 4.41 1.82 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 0.30 0.00 0.00 0.78 0.00 0.00 103 R 8.11 3.76 0.00 0.99 1.49 0.00 3.00 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.00 104 G 7.65 3.88 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 0.00 0.00 0.00 105 Y 8.27 4.35 0.00 2.70 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 0.00 106 F 6.04 4.70 0.00 2.80 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 0.00 107 M 8.68 4.45 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 108 R 6.86 3.83 0.00 1.73 1.72 0.00 2.96 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 109 L 8.15 3.65 0.00 1.65 1.60 0.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.14 0.00 1.99 0.66 0.00 3.35 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.01 0.00 111 S 8.10 5.01 0.00 4.08 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 0.00 112 S 9.09 4.05 0.00 3.79 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 0.00 113 H 8.08 4.41 0.00 3.20 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.19 4.45 0.00 2.48 2.58 0.00 0.00 6.91 7.47 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 0.00 115 F 7.80 4.68 0.00 2.41 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 0.00 116 R 8.40 4.63 0.00 1.63 1.86 0.00 2.21 0.00 0.00 2.87 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.74 0.00 117 Y 8.38 5.20 0.00 3.17 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 0.00 118 W 9.01 5.36 0.00 3.06 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 0.00 119 G 9.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.92 4.71 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 121 G 11.30 3.73 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 0.00 0.00 0.00 122 T 7.83 4.48 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 1.24 0.00 0.00 123 Q 8.84 4.37 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 124 V 8.80 4.77 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 0.77 0.00 0.00 0.59 0.00 0.00 125 T 9.01 4.87 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 1.22 0.00 0.00 126 V 9.22 5.47 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 0.79 0.00 0.00 0.94 0.00 0.00 127 S 8.39 4.90 0.00 3.89 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 0.00 128 S 8.69 4.42 0.00 3.91 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 *129 R 8.36 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.