NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.6127 8.2027 119.6952 56.1460 31.2633 176.7355 7 V 4.0163 8.1510 116.8343 63.5222 31.3189 176.0244 8 I 3.9584 8.3881 111.5806 62.5817 38.1278 175.5347 9 F 5.0711 7.7723 118.9527 57.6341 40.2772 176.4212 10 D 4.5951 8.2360 122.3670 54.1277 42.4947 177.3059 11 K 4.0093 8.7608 122.4276 59.9587 32.1176 179.4304 12 N 4.3951 8.1349 116.1761 56.0744 38.3841 177.5615 13 V 3.6030 7.6314 119.3109 66.1072 31.8186 177.9752 14 I 3.7723 7.7944 119.4932 64.5674 36.9715 178.3479 15 E 4.0521 8.4633 119.4555 59.1354 29.2176 179.2198 16 F 4.2247 8.2257 120.9309 61.2548 39.4482 177.2471 17 V 3.3400 8.0575 118.1387 66.2257 31.2314 177.9960 18 T 3.8000 7.8758 115.2515 66.7976 68.2736 176.7674 19 V 3.5722 7.6834 119.6893 65.7984 31.4524 177.8262 20 A 3.7903 8.0864 120.7658 55.0385 18.1334 179.4479 21 A 3.8786 8.2354 119.6368 55.3913 18.4274 179.7767 22 E 3.9606 8.2508 117.1564 59.3139 29.5746 179.2820 23 F 4.2941 8.6022 121.0967 61.6852 39.4701 177.0437 24 C 4.1602 8.4732 116.2001 62.8045 27.7050 175.9913 25 A 4.2610 7.9667 122.7367 54.3651 18.0546 179.2425 26 F 4.3064 8.3855 119.2654 61.6518 39.4613 177.4518 27 L 3.6212 7.6142 118.3620 57.6658 41.0505 179.4201 28 E 3.9481 8.3533 118.3019 58.1734 28.9868 178.5116 29 R 4.4982 7.1325 116.2284 55.7700 30.7226 176.6610 30 A 3.9096 7.6619 121.9404 53.5554 18.6413 178.3174 31 E 3.3509 7.7438 115.3605 56.9713 29.7468 175.0420 32 S 3.3436 8.3710 124.9876 58.4314 59.9134 171.3524 *34 K 4.0408 7.9501 124.0505 55.5485 34.0342 175.2415 35 R 3.9701 8.5760 126.6550 59.8127 29.9606 178.5420 36 S 4.1351 8.1619 113.2110 62.0645 62.7028 176.5089 37 T 3.8743 7.9087 118.9758 65.9977 68.2715 176.2000 38 F 4.3380 8.5735 122.8015 61.4248 39.4717 177.3327 39 V 3.4942 8.4120 118.1624 66.0079 30.9561 177.3488 40 D 4.2765 8.2157 117.8372 57.8230 41.0685 178.4854 41 T 3.9530 8.0654 116.2696 66.7443 68.3583 176.9868 42 T 3.6816 7.7188 117.7396 66.4490 68.2541 176.3653 43 L 4.1550 7.7911 118.8921 56.4546 41.4376 178.5302 44 K 4.3209 7.2334 118.9050 58.1675 32.8844 178.7717 45 I 3.6216 7.6352 120.0901 64.1359 37.0036 178.2955 46 L 3.9979 8.0732 119.9084 57.5330 41.4522 177.8745 47 P 4.3007 0.0000 0.0000 65.4731 31.2138 178.4612 48 L 4.0079 7.5941 118.9719 57.9395 42.0342 178.7456 49 L 4.0536 8.2353 120.5160 58.2856 42.0403 178.2979 50 Y 4.1294 8.4578 119.6419 60.6198 38.5677 177.7111 51 L 4.0270 8.1185 119.9630 58.3374 42.3201 178.7839 52 K 4.1064 8.3000 117.0785 59.4488 32.0588 178.9255 53 A 3.2216 7.8446 120.1767 54.4685 18.3159 180.6412 54 S 3.8149 7.3119 113.7047 57.3174 63.3126 174.4213 *56 L 3.9257 7.4500 120.0635 53.7232 42.6004 175.4159 57 P 4.4417 0.0000 0.0000 61.6490 32.2932 175.9351 58 K 3.9341 8.3624 120.7296 56.5208 32.5532 175.4738 59 C 4.8200 8.8022 126.2577 57.6337 34.1206 173.2419 60 E 4.5538 8.3986 128.7672 55.9147 30.2268 175.8204 *62 I 4.0951 8.4692 120.7324 62.5244 38.9070 177.2672 63 G 3.9197 8.7311 105.6122 46.4119 0.0000 173.8304 64 D 4.7259 8.1382 120.1767 54.2662 42.1872 176.7307 65 E 4.6635 7.8485 117.3895 54.3251 32.7225 175.1767 66 S 4.4595 8.6494 120.1086 57.1879 63.7590 172.6097 67 P 4.4859 0.0000 0.0000 62.1005 31.8393 176.2605 68 E 4.1857 8.6496 120.7193 56.6951 30.0121 177.0332 69 T 4.5672 8.1852 111.2140 60.0554 69.6065 173.6593 70 Y 3.7284 8.8996 127.8794 60.3507 39.0807 176.4506 71 V 3.6878 8.5498 120.1460 62.9702 31.9898 176.0670 72 T 4.5309 8.0475 117.5846 59.9922 72.2734 175.2249 73 E 4.0069 8.5084 120.0655 59.4941 29.3566 179.4370 74 E 3.9670 8.1202 118.0522 59.5989 29.6402 179.3112 75 I 3.6987 7.6843 119.6723 64.4071 37.0622 177.8545 76 Y 3.9789 8.2506 120.3180 60.8557 38.6436 178.0772 77 E 3.9627 8.6377 119.7140 59.3285 29.5932 179.4745 78 V 3.5003 7.8817 118.3042 65.8532 31.5372 177.8300 79 L 3.6902 7.6422 119.9334 57.9884 41.8303 178.7472 80 R 3.6484 7.7880 118.8473 59.5212 30.0042 178.4671 81 I 3.6189 7.9425 119.8139 64.3769 36.9346 178.2256 82 N 4.1833 8.0599 117.1683 56.3358 38.3823 177.5180 83 L 3.5877 7.8715 120.1736 57.5584 41.5984 179.4057 84 A 3.9818 8.1390 121.1839 55.1540 18.0545 179.8666 85 S 4.0264 7.7116 111.8436 61.3316 63.1262 176.6860 86 I 3.7023 6.9595 122.6335 64.3316 37.1755 178.1996 87 L 4.0302 7.9031 119.4626 54.5140 41.6674 179.0176 88 A 3.5072 8.7070 120.8877 53.2640 18.1515 179.8503 89 E 4.2159 9.0363 117.9368 60.2659 29.6399 177.1745 90 K 4.4358 7.9214 118.4575 56.4573 32.7336 176.9714 91 D 4.5293 8.0791 121.0848 56.8549 41.4129 175.8727 92 D 5.3687 7.8796 117.3203 53.2682 40.9694 175.5732 93 Y 4.9339 8.4931 119.1884 56.7462 41.7216 173.7452 94 L 4.8364 8.7963 126.2747 54.5761 41.8415 176.7027 95 E 4.4430 8.8587 119.7809 55.5373 32.6237 173.8520 *109 K 4.2054 7.9290 119.1633 55.4892 33.1204 179.8128 110 K 4.5594 8.4953 124.9027 53.4976 36.1552 175.0619 111 N 5.4770 8.1875 117.3483 51.1291 41.9264 175.8649 112 I 4.0883 9.2432 125.3877 64.6752 37.2867 178.6874 113 S 4.1526 8.9672 115.4920 61.6706 62.5780 176.3764 114 E 3.9798 8.1734 122.2903 58.9240 29.5328 178.2015 115 D 4.5337 8.2702 119.0035 57.6551 40.9013 178.9117 116 L 4.3005 8.4736 119.4066 57.8212 41.6351 179.5007 117 A 3.9943 8.1951 120.8759 55.2160 17.7794 179.4682 118 D 4.7129 8.6612 117.6091 57.6397 40.8851 179.1012 119 I 4.0379 8.3016 120.4830 64.5681 37.0964 177.6808 120 Y 4.3200 8.7259 120.8118 60.8053 38.6934 177.8244 121 Q 4.1292 8.5518 120.3986 59.5953 29.0778 178.5000 122 D 4.3746 7.8332 118.3000 57.4280 40.9272 178.8856 123 I 3.5030 7.5800 120.2873 64.1259 37.0845 178.4539 124 K 3.6217 8.2291 120.9492 59.5429 32.0695 178.5310 125 D 4.5387 7.9615 118.8644 57.2965 40.6657 178.6516 126 F 4.4574 8.1227 121.1775 61.4104 39.6289 177.4535 127 I 3.0320 7.6260 112.6009 63.3087 36.9787 177.9265 128 F 4.1040 7.7778 122.0101 61.3472 39.6027 176.9800 129 V 3.3422 7.3597 116.8372 65.7456 31.4411 177.5667 130 F 3.8617 8.0694 120.4938 61.3083 38.8712 176.7597 131 Q 4.0617 7.6274 117.3237 58.2758 28.9538 177.4119 132 L 4.0044 7.3427 118.9662 55.4146 41.5560 177.9933 133 G 3.6389 7.1263 105.2317 45.4876 0.0000 173.1096 134 L 4.3428 7.3195 122.1941 53.1580 42.2833 176.3589 135 N 4.1208 9.0042 124.7379 56.6148 38.9776 176.2043 136 E 4.0797 8.3341 118.2635 59.4664 30.1262 178.3371 137 T 4.0352 7.3795 109.0575 61.9408 69.2705 176.1053 *139 N 4.6797 8.2862 121.5673 55.0117 40.9239 175.7119 140 D 4.4593 8.0975 118.0901 57.0960 40.7971 178.9055 141 S 4.2848 8.7492 115.6511 61.3082 62.9617 176.4194 142 L 3.5987 8.2052 123.3256 57.7302 41.9313 178.5296 143 A 3.9637 8.2108 120.8210 55.2325 18.3316 179.6899 144 I 3.6952 8.1437 118.6073 64.6747 36.9860 178.2118 145 C 4.2680 7.8952 118.3097 62.5995 31.5259 175.1182 146 Q 3.9942 8.3764 121.5800 59.0896 28.4023 177.7135 147 E 3.9523 8.4006 119.9040 59.2178 30.0069 178.0095 148 N 4.6382 8.5047 115.3430 54.5736 38.8115 176.9250 149 F 2.9027 7.8417 123.4500 61.0046 39.1583 176.6228 150 G 3.5227 7.9167 105.3384 48.3247 0.0000 173.9535 151 L 4.4846 7.5782 117.9121 53.6182 44.2967 176.9320 152 L 4.3585 8.0938 118.2839 54.7521 42.3687 178.5415 153 W 4.5241 9.4821 125.6357 60.1803 28.9654 178.3563 154 G 2.5544 7.1129 106.6322 46.9994 0.0000 175.5506 155 Q 3.8196 7.5746 121.3902 59.0096 29.1937 178.3967 156 K 4.1092 8.2050 119.4869 59.0820 31.7909 179.1434 157 L 4.0523 7.9466 120.1821 58.5087 42.2241 179.2783 158 V 3.6516 7.5012 110.7871 64.3141 31.1989 178.1359 159 N 4.5481 8.1882 116.4232 56.2835 38.3949 178.7130 160 T 3.8064 8.3093 118.0404 63.2498 68.5562 176.6367 *162 R 4.0906 8.0385 121.6293 56.3955 32.1831 177.0728 163 A 3.7152 7.3256 118.6960 55.0912 18.1815 179.6343 164 L 3.9589 8.1015 117.7633 58.1526 41.6125 179.2136 165 H 4.2350 8.1982 117.7256 59.4049 29.7817 176.8761 166 D 4.4064 8.2600 120.7330 57.3387 40.4147 178.8857 167 V 3.5680 7.5635 117.7677 65.8475 31.5877 177.7543 168 K 3.8611 7.8526 118.2463 58.9805 32.1294 177.5595 169 Y 4.6272 7.8665 114.6789 58.4071 39.4759 175.7389 170 S 4.3289 8.2397 118.9223 58.4227 62.5165 173.3963 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 6 Q 8.20 4.61 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 7 V 8.15 4.02 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 1.23 0.00 0.00 0.92 0.00 0.00 8 I 8.39 3.96 1.73 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.95 0.00 0.00 9 F 7.77 5.07 0.00 3.25 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 10 D 8.24 4.60 0.00 2.89 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 11 K 8.76 4.01 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.58 7.81 12 N 8.13 4.40 0.00 2.75 2.83 0.00 0.00 6.78 7.68 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 13 V 7.63 3.60 2.33 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 1.19 0.00 0.00 1.02 0.00 0.00 14 I 7.79 3.77 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.98 0.00 0.00 15 E 8.46 4.05 0.00 2.07 2.04 0.00 0.00 0.00 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 2.61 0.00 16 F 8.23 4.22 0.00 3.11 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 17 V 8.06 3.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.45 0.00 0.00 18 T 7.88 3.80 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 1.21 0.00 0.00 19 V 7.68 3.57 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 1.11 0.00 0.00 0.99 0.00 0.00 20 A 8.09 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.24 3.88 1.34 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 22 E 8.25 3.96 0.00 2.19 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 0.00 2.48 2.47 0.00 23 F 8.60 4.29 0.00 3.09 3.25 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 24 C 8.47 4.16 0.00 3.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.26 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 26 F 8.39 4.31 0.00 3.18 3.28 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 27 L 7.61 3.62 0.00 1.43 1.37 0.68 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.35 3.95 0.00 1.99 1.96 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 2.31 2.50 0.00 29 R 7.13 4.50 0.00 1.72 1.84 0.00 3.15 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 30 A 7.66 3.91 0.99 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 31 E 7.74 3.35 0.00 1.81 1.80 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 2.23 2.38 0.00 32 S 8.37 3.34 0.00 4.00 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 *34 K 7.95 4.04 0.00 1.86 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.51 7.81 35 R 8.58 3.97 0.00 2.06 1.95 0.00 3.27 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 36 S 8.16 4.14 0.00 4.07 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 0.00 37 T 7.91 3.87 4.46 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 1.29 0.00 0.00 38 F 8.57 4.34 0.00 3.16 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 39 V 8.41 3.49 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 0.90 0.00 0.00 1.11 0.00 0.00 40 D 8.22 4.28 0.00 2.87 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 41 T 8.07 3.95 4.01 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 0.53 0.00 0.00 42 T 7.72 3.68 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 1.25 0.00 0.00 43 L 7.79 4.16 0.00 1.77 1.76 0.96 0.72 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 44 K 7.23 4.32 0.00 1.98 1.79 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.57 7.81 45 I 7.64 3.62 1.86 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 1.07 0.00 0.00 46 L 8.07 4.00 0.00 1.73 1.79 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.30 0.00 2.18 2.11 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 48 L 7.59 4.01 0.00 1.74 1.86 0.96 0.52 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 L 8.24 4.05 0.00 1.86 1.90 0.72 0.06 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 50 Y 8.46 4.13 0.00 3.37 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 51 L 8.12 4.03 0.00 1.85 1.95 0.96 0.65 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 52 K 8.30 4.11 0.00 2.17 2.13 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.70 7.81 53 A 7.84 3.22 0.63 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 0.00 0.00 54 S 7.31 3.81 0.00 3.88 3.78 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 *56 L 7.45 3.93 0.00 1.37 1.36 -0.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.44 0.00 2.14 2.02 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 58 K 8.36 3.93 0.00 1.67 1.73 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.46 7.81 59 C 8.80 4.82 0.00 2.88 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 60 E 8.40 4.55 0.00 1.98 1.80 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 2.23 2.25 0.00 *62 I 8.47 4.10 2.13 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 1.35 0.56 1.01 0.00 0.00 63 G 8.73 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 0.00 0.00 0.00 64 D 8.14 4.73 0.00 2.90 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 65 E 7.85 4.66 0.00 1.90 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 0.00 2.20 2.36 0.00 66 S 8.65 4.46 0.00 3.89 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 67 P 0.00 4.49 0.00 2.12 2.05 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 68 E 8.65 4.19 0.00 2.18 2.13 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 2.44 2.44 0.00 69 T 8.19 4.57 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 1.28 0.00 0.00 70 Y 8.90 3.73 0.00 2.55 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 71 V 8.55 3.69 2.23 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 1.09 0.00 0.00 1.27 0.00 0.00 72 T 8.05 4.53 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 1.13 0.00 0.00 73 E 8.51 4.01 0.00 2.04 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 2.37 2.39 0.00 74 E 8.12 3.97 0.00 2.03 1.98 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 2.38 2.46 0.00 75 I 7.68 3.70 2.04 0.00 0.00 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 1.38 0.53 1.11 0.00 0.00 76 Y 8.25 3.98 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.64 3.96 0.00 2.14 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 2.63 2.54 0.00 78 V 7.88 3.50 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 0.92 0.00 0.00 0.97 0.00 0.00 79 L 7.64 3.69 0.00 1.46 1.53 0.53 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.79 3.65 0.00 1.46 1.86 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 81 I 7.94 3.62 1.93 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 1.77 0.99 0.85 0.00 0.00 82 N 8.06 4.18 0.00 2.70 2.67 0.00 0.00 7.06 6.11 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 83 L 7.87 3.59 0.00 1.55 1.57 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.14 3.98 1.34 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 85 S 7.71 4.03 0.00 3.99 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 86 I 6.96 3.70 1.52 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.57 0.00 0.00 87 L 7.90 4.03 0.00 1.71 1.83 1.15 0.99 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 88 A 8.71 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.04 4.22 0.00 2.10 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 2.29 2.28 0.00 90 K 7.92 4.44 0.00 1.95 1.91 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.52 7.81 91 D 8.08 4.53 0.00 2.81 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 92 D 7.88 5.37 0.00 2.71 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 93 Y 8.49 4.93 0.00 3.12 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 94 L 8.80 4.84 0.00 1.45 1.49 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.86 4.44 0.00 1.92 1.81 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 2.11 1.83 0.00 *109 K 7.93 4.21 0.00 1.56 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 110 K 8.50 4.56 0.00 0.79 1.32 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.35 7.81 111 N 8.19 5.48 0.00 2.69 2.88 0.00 0.00 6.80 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 0.00 112 I 9.24 4.09 2.18 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 1.70 1.13 1.09 0.00 0.00 113 S 8.97 4.15 0.00 4.11 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 0.00 114 E 8.17 3.98 0.00 2.12 2.21 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 2.68 2.60 0.00 115 D 8.27 4.53 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.47 4.30 0.00 1.83 1.93 1.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.20 3.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.66 4.71 0.00 3.10 2.95 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 0.00 119 I 8.30 4.04 2.38 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.04 0.97 0.00 0.00 120 Y 8.73 4.32 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.55 4.13 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 122 D 7.83 4.37 0.00 2.83 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 0.00 123 I 7.58 3.50 1.84 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.77 0.00 0.00 124 K 8.23 3.62 0.00 0.79 1.30 0.00 1.11 0.00 0.00 1.37 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.01 7.81 125 D 7.96 4.54 0.00 2.95 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 0.00 126 F 8.12 4.46 0.00 3.09 3.28 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 0.00 127 I 7.63 3.03 1.62 0.00 0.00 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 1.50 0.30 0.64 0.00 0.00 128 F 7.78 4.10 0.00 2.78 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 0.00 129 V 7.36 3.34 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 0.96 0.00 0.00 1.09 0.00 0.00 130 F 8.07 3.86 0.00 2.67 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 0.00 131 Q 7.63 4.06 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 132 L 7.34 4.00 0.00 1.56 1.53 0.57 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.13 3.64 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 0.00 0.00 0.00 134 L 7.32 4.34 0.00 1.66 1.50 0.90 0.61 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 0.00 135 N 9.00 4.12 0.00 2.72 2.87 0.00 0.00 7.11 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 0.00 136 E 8.33 4.08 0.00 1.99 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 2.38 2.31 0.00 137 T 7.38 4.04 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 *139 N 8.29 4.68 0.00 2.79 3.06 0.00 0.00 7.08 8.49 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 0.00 140 D 8.10 4.46 0.00 2.87 2.74 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 0.00 141 S 8.75 4.28 0.00 4.31 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 0.00 142 L 8.21 3.60 0.00 2.08 2.01 0.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.21 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.14 3.70 2.12 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 1.46 1.12 1.00 0.00 0.00 145 C 7.90 4.27 0.00 2.94 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 0.00 146 Q 8.38 3.99 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 147 E 8.40 3.95 0.00 2.08 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 0.00 2.35 2.36 0.00 148 N 8.50 4.64 0.00 3.16 3.12 0.00 0.00 6.61 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 0.00 149 F 7.84 2.90 0.00 2.75 2.94 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 0.00 150 G 7.92 3.52 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 0.00 0.00 0.00 151 L 7.58 4.48 0.00 1.60 1.67 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.09 4.36 0.00 2.06 1.53 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 153 W 9.48 4.52 0.00 3.69 3.54 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 0.00 154 G 7.11 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 0.00 0.00 0.00 155 Q 7.57 3.82 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 156 K 8.20 4.11 0.00 2.16 2.00 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.69 7.81 157 L 7.95 4.05 0.00 2.10 2.06 1.37 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.50 3.65 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 0.42 0.00 0.00 0.96 0.00 0.00 159 N 8.19 4.55 0.00 2.96 2.96 0.00 0.00 6.96 7.09 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 0.00 160 T 8.31 3.81 4.48 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 1.32 0.00 0.00 *162 R 8.04 4.09 0.00 1.79 2.01 0.00 3.16 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 163 A 7.33 3.72 0.54 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 0.00 0.00 164 L 8.10 3.96 0.00 1.70 1.74 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 165 H 8.20 4.23 0.00 3.30 3.50 0.00 5.87 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 0.00 166 D 8.26 4.41 0.00 3.07 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 0.00 167 V 7.56 3.57 2.25 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 0.80 0.00 0.00 1.04 0.00 0.00 168 K 7.85 3.86 0.00 1.54 1.42 0.00 1.53 0.00 0.00 0.98 0.00 0.00 3.03 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 1.01 7.81 169 Y 7.87 4.63 0.00 2.82 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 0.00 170 S 8.24 4.33 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.