NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5863 8.1476 120.5998 55.4188 33.4227 174.8531 2 N 4.6821 9.3499 124.6254 49.9435 38.6771 175.3737 3 S 4.1216 8.5596 113.9123 61.1860 64.1516 177.2998 4 E 3.9271 8.1625 122.9358 59.1813 29.3393 178.3882 5 E 3.9419 8.4456 118.8086 59.1498 29.4870 179.4800 6 V 3.3947 7.5700 118.4372 65.7963 31.5255 177.4642 7 N 4.2197 8.0667 116.7810 56.8407 38.7207 176.4829 8 D 4.3370 7.8623 119.5600 57.4502 40.9595 178.7228 9 I 3.3589 7.2711 119.8715 64.2212 36.9102 178.5940 10 K 3.9978 7.8530 118.8867 60.1723 31.7355 178.8865 11 R 3.8727 8.1750 116.6051 60.5476 30.1614 178.5445 12 T 4.0640 8.8555 109.3881 64.9223 68.9102 176.3688 13 W 4.2617 8.6319 131.0732 60.1759 30.2285 177.6980 14 E 3.9464 8.1944 118.6393 59.2990 28.5766 179.4951 15 V 3.5501 7.2712 117.7744 65.9569 31.9080 177.9968 16 V 3.4392 7.2008 117.2700 65.5868 31.2007 177.3490 17 A 3.9068 7.2085 118.2624 53.6904 18.3174 178.8924 18 A 4.1002 7.3088 117.8982 53.6822 19.7090 177.9049 19 K 4.5862 7.8470 116.7070 54.6081 32.9566 177.1589 20 M 3.9165 8.0896 121.6769 59.7993 32.3999 178.8754 21 T 3.8970 7.7462 115.0500 66.3870 68.8323 176.4035 22 E 3.8713 8.1029 120.5172 59.4027 29.7923 178.6660 23 A 4.0961 8.2504 120.9341 54.9050 18.3717 179.7420 24 G 3.5554 8.0815 104.4187 47.5172 0.0000 176.3170 25 V 3.5559 7.7505 120.5071 65.5701 31.5565 177.7216 26 E 3.9588 8.1467 119.2120 59.4711 29.3968 178.2561 27 M 3.9358 7.9688 118.1576 58.7574 32.3147 178.0750 28 L 3.6941 7.8532 118.8655 57.4922 41.7834 179.1807 29 K 4.0217 8.2329 119.4856 60.1666 32.1070 178.9567 30 R 3.9616 8.1341 117.8711 59.2337 29.9544 178.3147 31 Y 4.3209 8.3268 119.8186 61.0268 38.4829 178.3240 32 F 4.3859 7.8127 117.7565 59.6745 38.9134 177.9619 33 K 3.9457 7.7849 118.4615 59.4634 32.1124 178.3893 34 K 3.9599 8.3493 118.6680 57.9269 33.7934 176.4810 35 Y 4.8473 7.8366 115.8068 55.1996 38.2919 174.3291 36 P 4.6936 0.0000 0.0000 64.7144 32.0964 178.2081 37 H 4.3048 8.1780 115.1427 58.6454 28.4798 176.9106 38 N 4.6291 7.9749 118.8227 55.3569 38.4542 176.5478 39 L 3.7734 7.8644 121.9762 57.6480 41.8022 177.8934 40 N 4.5484 7.9370 114.3233 54.8748 38.7718 175.6324 41 H 4.6056 8.0123 116.5888 54.7874 30.7354 175.5544 42 F 3.4007 7.4209 119.9750 54.3519 39.5246 173.4998 43 P 4.1006 0.0000 0.0000 64.6446 31.8194 179.0489 44 W 4.3408 7.1241 114.2605 58.9541 28.0617 176.9908 45 F 4.9224 7.0977 116.4144 59.2081 38.8827 177.1704 46 K 4.0300 7.7277 119.9631 59.4389 31.6900 178.1768 47 E 4.0312 7.9793 117.4864 58.6791 29.8431 176.8255 48 I 3.5824 7.7621 117.6890 60.9566 37.6526 174.2068 49 P 4.3128 0.0000 0.0000 63.1263 31.9380 178.1180 *50 F 4.0410 8.6188 119.1699 59.6627 38.2507 176.0740 51 D 4.4242 7.6685 117.6713 56.9910 40.6644 176.9351 52 D 4.8766 7.6708 116.7877 52.9507 40.2598 177.3795 53 L 3.7698 7.4499 124.6970 58.0840 42.1276 176.4183 54 P 4.4689 0.0000 0.0000 64.5327 31.1970 176.7610 *55 E 4.6049 7.7271 113.2737 55.3851 31.4264 180.7395 56 N 4.6596 8.1377 118.6822 53.9864 40.4611 175.2904 57 A 4.0631 8.8719 129.5532 55.3079 18.4780 179.0390 58 R 4.3889 8.6343 115.7177 57.6250 30.7342 178.3691 59 F 4.1747 8.6554 120.4403 61.3436 39.6636 176.5042 60 K 3.8842 8.3582 118.0887 60.3688 31.9827 179.3680 61 T 3.9713 8.0479 115.3791 66.8271 68.3780 176.4417 62 H 4.3770 8.5157 120.3938 59.0776 29.8202 177.3025 63 G 3.6309 7.8550 107.3890 48.3665 0.0000 175.6423 64 T 3.9319 7.7863 117.7793 66.3365 68.3114 176.9460 65 R 3.9936 8.1026 119.9388 59.3278 30.0695 178.9323 66 I 3.8090 7.6961 119.4240 64.7031 37.2148 178.5100 67 L 4.3758 7.8977 119.6377 57.9672 41.0845 179.6929 68 R 4.2300 8.3389 118.7713 59.2962 29.9352 178.4112 69 Q 3.9084 8.0695 119.7337 58.8768 29.0450 177.8592 70 V 3.8874 8.0387 119.4359 66.2425 31.4999 177.3196 71 D 4.5200 8.8836 117.9462 57.7376 40.9553 178.3106 72 E 4.0823 8.0319 118.5620 59.0464 29.1341 179.5623 73 G 3.5615 7.5091 105.1686 47.8401 0.0000 175.5760 74 V 3.7394 8.1334 121.6277 65.5771 31.2353 178.1927 75 K 4.0032 7.9658 116.9628 59.1666 31.9970 178.4312 76 A 4.3734 7.6692 118.7782 51.6885 19.1813 177.4216 77 L 3.8649 7.2517 119.9047 55.3417 42.6118 176.1999 78 S 4.5446 7.9737 118.5259 55.9405 66.6064 172.9762 79 V 3.5596 8.2737 118.9851 65.1054 31.1763 175.2429 80 D 4.3980 9.4622 125.6808 55.0813 38.9617 173.6522 81 F 3.5714 7.7644 113.9380 58.3756 36.9972 177.2342 82 G 3.7495 8.2376 110.9223 48.6546 0.0000 174.6455 83 D 4.3107 7.9944 124.6251 54.4658 41.0896 177.5006 84 K 4.7801 8.7894 129.2350 55.9219 32.3246 175.8122 85 K 4.2659 8.4767 123.7956 60.0395 31.3860 184.2882 86 F 4.3700 8.3275 119.9371 62.0830 39.2317 176.8334 87 D 4.5744 7.9906 117.0806 57.5317 40.6073 178.5064 88 D 4.3615 7.6949 117.8882 56.6516 40.9774 178.9114 89 V 3.1556 6.9328 117.6642 65.3964 31.3730 177.7736 90 W 4.6703 7.2274 117.2676 58.5175 29.2536 178.6768 91 K 4.0198 8.0780 119.0639 59.1941 30.9670 179.0904 92 K 3.9152 7.9552 119.9194 59.2816 32.0784 178.5483 93 L 4.0541 7.8302 119.9984 58.1611 42.0391 178.3980 94 A 3.9213 8.0068 120.8503 55.6174 18.0934 179.6773 95 Q 4.0036 7.9759 114.7947 59.5888 28.6734 178.5469 96 T 4.1397 7.5975 116.4419 65.8637 68.7358 175.6612 97 H 4.7204 8.1068 115.3146 55.7041 29.8253 175.4482 98 H 4.1967 8.2064 121.8374 59.5597 29.6758 176.7331 99 E 3.9739 8.1116 113.7004 56.4327 28.8435 176.3578 100 K 4.5296 7.7719 118.8148 54.3852 34.6929 177.7802 101 K 4.2108 8.6290 124.3050 56.2775 29.5919 174.9858 102 V 4.1630 7.6883 113.7165 58.8105 32.3433 175.5410 103 E 4.1312 8.7131 126.7960 55.9951 30.3398 177.4000 104 R 3.8159 9.1452 126.1210 59.8486 29.8824 178.0372 105 R 3.8756 8.0768 117.9104 59.6593 30.1039 178.4797 106 S 4.8472 8.0890 114.7526 60.6026 63.0488 176.1059 107 Y 3.8484 7.9623 120.4570 61.1098 37.7169 177.4521 108 N 4.4206 8.2388 117.4113 56.8439 38.5248 177.2961 109 E 3.7150 8.2688 119.6159 59.0291 29.3048 179.1786 110 L 3.5077 7.7742 120.1872 57.5644 42.0780 178.6331 111 K 3.3081 8.1206 119.7680 59.4499 32.0139 177.8358 112 D 4.3450 7.9369 117.9057 57.6765 41.0440 178.6106 113 I 3.7401 7.5014 119.9147 64.4689 37.1583 178.2487 114 I 3.6390 7.8534 121.0475 64.8078 37.0592 178.4984 115 I 3.6814 7.5915 119.9820 63.7565 36.6368 178.4874 116 E 3.9494 7.6709 119.0222 59.3358 29.7287 179.2448 117 V 3.7212 8.0583 119.6416 64.7681 31.3852 178.4176 118 V 3.4926 7.7078 118.9184 65.9818 31.1107 177.6401 119 C 4.3646 7.8962 118.1356 61.2972 31.4594 174.8118 120 S 4.4169 7.5823 113.4890 59.6001 63.1260 175.4119 121 C 4.3353 7.7315 119.8994 60.4369 28.7318 173.9399 122 V 4.4042 7.3221 121.0340 59.9569 33.9330 175.3996 123 K 4.5200 8.5822 123.7558 54.0018 31.9010 176.3129 124 L 4.8101 8.3064 124.9389 52.6798 43.3418 177.1755 125 N 4.8358 8.7118 120.7898 51.8418 40.7722 175.8126 126 E 4.0860 8.5758 117.5262 59.5853 29.6858 179.0119 127 K 4.1071 8.0459 119.1335 59.2712 32.1978 179.1622 128 Q 4.1157 8.0906 118.1366 58.7421 28.9202 178.4347 129 V 3.7699 7.9257 119.3808 66.2279 31.4791 177.4961 130 H 4.2366 8.2808 117.2613 59.3764 29.7449 177.0426 131 A 4.0134 8.1520 122.4944 55.4597 18.1814 179.2262 132 Y 4.0176 8.2882 115.2193 61.3913 37.8580 178.3376 133 H 4.2400 8.3562 116.7311 59.0988 28.9288 177.9115 134 K 3.9172 7.9828 119.7809 59.3004 31.8677 178.7714 135 F 4.1935 8.4096 120.9940 61.9128 39.2410 177.4500 136 F 3.4406 8.4098 116.8147 59.9716 38.6759 177.6047 137 D 4.3068 8.6830 119.3249 57.3643 40.6187 178.7944 138 R 3.6783 7.8528 118.7444 58.6901 30.0087 177.9167 139 A 2.9342 7.1701 120.7029 55.2875 17.8886 179.3633 140 Y 4.2588 7.3622 114.7085 61.1842 37.9462 177.9796 141 D 4.3625 8.0164 119.8721 57.5772 40.8729 179.0354 142 I 3.6848 7.7995 119.7517 64.4701 37.2738 178.3960 143 A 4.1622 7.9968 121.5147 55.1263 18.1972 179.5808 144 F 3.8648 8.6166 116.0242 60.0731 38.9846 177.9428 145 A 4.0613 7.9697 119.7211 55.3680 18.1606 179.2218 146 E 4.0941 7.8446 115.9621 59.6511 29.9393 179.0734 147 M 4.1814 7.9711 118.0758 57.7738 31.6128 178.3688 148 A 4.1425 7.5931 117.7957 52.4081 18.2788 177.4064 149 K 4.0892 7.8511 125.5678 58.3611 32.9637 176.6665 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 M 8.15 4.59 0.00 1.51 1.51 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.99 0.00 2 N 9.35 4.68 0.00 2.94 2.89 0.00 0.00 6.56 6.83 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 3 S 8.56 4.12 0.00 4.02 4.10 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 0.00 0.00 0.00 4 E 8.16 3.93 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 5 E 8.45 3.94 0.00 2.21 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 2.30 2.38 0.00 6 V 7.57 3.39 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 0.89 0.00 0.00 0.77 0.00 0.00 7 N 8.07 4.22 0.00 2.85 2.93 0.00 0.00 7.26 8.22 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 8 D 7.86 4.34 0.00 2.86 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 9 I 7.27 3.36 1.53 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.48 0.12 0.00 0.00 10 K 7.85 4.00 0.00 1.95 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 11 R 8.18 3.87 0.00 1.99 1.99 0.00 3.19 0.00 0.00 3.29 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 12 T 8.86 4.06 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 1.31 0.00 0.00 13 W 8.63 4.26 0.00 3.63 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 14 E 8.19 3.95 0.00 2.18 1.99 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 2.59 2.51 0.00 15 V 7.27 3.55 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 0.73 0.00 0.00 0.91 0.00 0.00 16 V 7.20 3.44 1.15 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 0.25 0.00 0.00 0.70 0.00 0.00 17 A 7.21 3.91 1.09 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 0.00 0.00 18 A 7.31 4.10 1.32 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 0.00 0.00 19 K 7.85 4.59 0.00 1.87 1.86 0.00 1.29 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.32 7.81 20 M 8.09 3.92 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 21 T 7.75 3.90 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 22 E 8.10 3.87 0.00 2.01 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 2.37 2.38 0.00 23 A 8.25 4.10 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 24 G 8.08 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.75 3.56 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 1.19 0.00 0.00 1.05 0.00 0.00 26 E 8.15 3.96 0.00 2.23 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 2.29 2.36 0.00 27 M 7.97 3.94 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 28 L 7.85 3.69 0.00 1.14 1.32 0.33 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.23 4.02 0.00 2.29 2.00 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.61 7.81 30 R 8.13 3.96 0.00 2.06 1.98 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 31 Y 8.33 4.32 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.39 0.00 3.13 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 33 K 7.78 3.95 0.00 1.90 2.01 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 K 8.35 3.96 0.00 1.63 1.37 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.33 1.10 7.81 35 Y 7.84 4.85 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.27 2.41 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.89 0.00 37 H 8.18 4.30 0.00 3.40 3.63 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.97 4.63 0.00 2.75 3.13 0.00 0.00 6.48 6.74 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 39 L 7.86 3.77 0.00 2.00 1.56 -0.18 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.94 4.55 0.00 2.81 2.72 0.00 0.00 6.92 8.02 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 41 H 8.01 4.61 0.00 2.69 2.89 0.00 5.60 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.42 3.40 0.00 2.83 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 0.00 0.00 0.00 0.00 43 P 0.00 4.10 0.00 2.11 1.98 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 44 W 7.12 4.34 0.00 3.26 3.24 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 45 F 7.10 4.92 0.00 3.01 2.83 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 46 K 7.73 4.03 0.00 1.95 1.83 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 47 E 7.98 4.03 0.00 2.02 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 2.33 2.36 0.00 48 I 7.76 3.58 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 0.87 0.00 0.00 49 P 0.00 4.31 0.00 2.18 2.15 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.94 0.00 *50 F 8.62 4.04 0.00 2.23 2.35 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 51 D 7.67 4.42 0.00 2.67 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 52 D 7.67 4.88 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.45 3.77 0.00 1.54 1.22 0.60 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.47 0.00 2.23 2.17 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 *55 E 7.73 4.60 0.00 1.96 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 2.11 1.81 0.00 56 N 8.14 4.66 0.00 2.76 2.88 0.00 0.00 7.04 7.52 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 57 A 8.87 4.06 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 58 R 8.63 4.39 0.00 2.04 2.38 0.00 3.07 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 59 F 8.66 4.17 0.00 3.02 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.36 3.88 0.00 2.18 1.93 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.64 7.81 61 T 8.05 3.97 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 1.28 0.00 0.00 62 H 8.52 4.38 0.00 3.65 3.49 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.85 3.63 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 0.00 64 T 7.79 3.93 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 1.24 0.00 0.00 65 R 8.10 3.99 0.00 2.02 2.04 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 66 I 7.70 3.81 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 1.03 0.00 0.00 67 L 7.90 4.38 0.00 1.75 1.98 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.34 4.23 0.00 2.18 2.13 0.00 3.21 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 69 Q 8.07 3.91 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.53 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 70 V 8.04 3.89 2.51 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 0.49 0.00 0.00 1.41 0.00 0.00 71 D 8.88 4.52 0.00 3.29 3.04 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 0.00 0.00 0.00 72 E 8.03 4.08 0.00 2.03 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 2.29 2.48 0.00 73 G 7.51 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.13 3.74 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 0.92 0.00 0.00 -0.13 0.00 0.00 75 K 7.97 4.00 0.00 1.95 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 76 A 7.67 4.37 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.25 3.86 0.00 1.86 1.61 0.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.97 4.54 0.00 3.92 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 79 V 8.27 3.56 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 0.91 0.00 0.00 0.87 0.00 0.00 80 D 9.46 4.40 0.00 2.76 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 81 F 7.76 3.57 0.00 3.07 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 82 G 8.24 3.75 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 0.00 0.00 0.00 83 D 7.99 4.31 0.00 2.70 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 84 K 8.79 4.78 0.00 1.72 1.79 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 0.96 7.81 85 K 8.48 4.27 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.31 7.81 86 F 8.33 4.37 0.00 3.22 3.27 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 87 D 7.99 4.57 0.00 3.06 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 88 D 7.69 4.36 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.93 3.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.51 0.00 0.00 90 W 7.23 4.67 0.00 3.27 3.14 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 91 K 8.08 4.02 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 92 K 7.96 3.92 0.00 1.94 1.91 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.41 7.81 93 L 7.83 4.05 0.00 2.06 2.10 0.97 1.30 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 94 A 8.01 3.92 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 95 Q 7.98 4.00 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 96 T 7.60 4.14 4.47 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 1.24 0.00 0.00 97 H 8.11 4.72 0.00 3.28 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 8.21 4.20 0.00 3.25 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.11 3.97 0.00 1.98 1.92 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 2.36 2.34 0.00 100 K 7.77 4.53 0.00 1.80 1.66 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.35 7.81 101 K 8.63 4.21 0.00 1.77 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.41 7.81 102 V 7.69 4.16 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 0.68 0.00 0.00 1.22 0.00 0.00 103 E 8.71 4.13 0.00 2.08 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 2.42 2.37 0.00 104 R 9.15 3.82 0.00 1.31 1.77 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 105 R 8.08 3.88 0.00 1.91 1.94 0.00 3.23 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 106 S 8.09 4.85 0.00 4.32 4.15 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 0.00 107 Y 7.96 3.85 0.00 2.83 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 0.00 0.00 0.00 108 N 8.24 4.42 0.00 2.94 2.91 0.00 0.00 7.10 7.28 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 0.00 109 E 8.27 3.71 0.00 1.90 1.12 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 1.47 2.05 0.00 110 L 7.77 3.51 0.00 1.15 1.63 -0.07 0.62 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 0.00 111 K 8.12 3.31 0.00 1.88 2.09 0.00 1.80 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.17 7.81 112 D 7.94 4.35 0.00 2.95 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 0.00 113 I 7.50 3.74 1.88 0.00 0.00 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 1.66 0.54 0.94 0.00 0.00 114 I 7.85 3.64 1.46 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 1.03 0.00 0.00 115 I 7.59 3.68 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.85 0.00 0.00 116 E 7.67 3.95 0.00 2.12 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 2.35 2.41 0.00 117 V 8.06 3.72 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 0.86 0.00 0.00 0.89 0.00 0.00 118 V 7.71 3.49 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 0.75 0.00 0.00 1.00 0.00 0.00 119 C 7.90 4.36 0.00 3.19 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 0.00 120 S 7.58 4.42 0.00 4.06 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 0.00 121 C 7.73 4.34 0.00 3.01 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 0.00 122 V 7.32 4.40 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 0.79 0.00 0.00 0.95 0.00 0.00 123 K 8.58 4.52 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.02 7.81 124 L 8.31 4.81 0.00 1.66 1.69 0.86 1.30 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 0.00 125 N 8.71 4.84 0.00 2.99 3.00 0.00 0.00 6.73 7.22 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 0.00 126 E 8.58 4.09 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 127 K 8.05 4.11 0.00 1.85 1.93 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.54 7.81 128 Q 8.09 4.12 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 129 V 7.93 3.77 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 1.14 0.00 0.00 1.00 0.00 0.00 130 H 8.28 4.24 0.00 3.48 3.54 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.15 4.01 1.35 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 0.00 132 Y 8.29 4.02 0.00 3.12 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 0.00 133 H 8.36 4.24 0.00 3.46 3.41 0.00 5.62 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 0.00 134 K 7.98 3.92 0.00 1.98 1.98 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 135 F 8.41 4.19 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 0.00 136 F 8.41 3.44 0.00 3.01 2.48 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 0.00 137 D 8.68 4.31 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 138 R 7.85 3.68 0.00 1.38 1.40 0.00 2.88 0.00 0.00 2.80 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 139 A 7.17 2.93 -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 0.00 140 Y 7.36 4.26 0.00 3.01 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 0.00 141 D 8.02 4.36 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 142 I 7.80 3.68 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.99 0.00 0.00 143 A 8.00 4.16 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 0.00 144 F 8.62 3.86 0.00 3.16 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 0.00 145 A 7.97 4.06 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 0.00 146 E 7.84 4.09 0.00 2.17 1.99 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 2.34 2.49 0.00 147 M 7.97 4.18 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 148 A 7.59 4.14 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 0.00 149 K 7.85 4.09 0.00 1.86 1.97 0.00 1.55 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.30 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.