NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6214 8.2233 120.1957 53.6932 42.6892 176.0193 3 D 4.3004 8.5724 120.5233 56.5137 40.4484 177.5228 4 R 3.8879 8.2774 119.5597 59.3425 30.4788 178.0703 5 L 3.9422 7.9042 119.6660 57.9573 41.9481 178.3560 6 F 4.1474 7.9285 119.1978 61.5860 39.4443 177.0086 7 R 3.9218 8.0979 116.2199 59.1779 29.9162 178.4321 8 N 4.4123 8.2352 115.4025 56.1762 38.8418 178.1833 9 A 4.0606 7.9041 119.0857 52.7711 18.4042 179.1841 *11 G 3.7455 8.0926 110.2091 46.6340 0.0000 175.3767 12 K 3.9917 7.8450 117.9296 57.4091 32.3000 176.7102 13 F 4.6378 7.9964 121.4683 56.3100 39.0079 174.7776 14 A 4.6464 8.2330 130.7732 52.4068 18.9962 176.1033 15 T 4.5911 9.1253 111.1329 59.6625 73.2647 173.8802 16 G 4.2661 8.5541 108.8706 45.1279 0.0000 172.5607 17 V 4.8033 8.3551 118.1795 61.2715 35.0457 174.9601 18 T 5.1264 8.8546 116.5616 59.8338 72.7565 172.5390 19 V 4.5208 8.3295 121.7365 61.0792 34.2076 174.3277 20 I 4.6888 8.2131 128.9182 60.8083 38.5982 174.8820 21 T 5.1581 8.7788 116.6940 60.4857 72.2843 172.6552 22 T 4.9738 8.7263 116.7962 61.2156 71.8550 171.4717 23 E 5.0628 8.5661 123.8088 54.1391 32.5426 174.6829 24 L 4.4315 8.8371 127.9011 53.8742 44.3944 175.6778 25 N 4.2730 9.9744 125.9684 54.1835 35.9551 172.9710 26 G 4.2213 8.1960 107.9500 45.4721 0.0000 172.9333 27 A 4.0612 7.5203 123.2861 51.3866 19.0443 176.1978 28 V 4.2539 7.9955 123.2437 62.3178 32.5346 174.8373 29 H 4.9939 9.3286 125.0713 54.2168 32.1591 173.4008 30 G 4.5520 8.4573 107.9195 44.7163 0.0000 171.2512 *32 T 4.4100 8.4185 114.7893 63.3953 69.7758 173.5903 33 A 4.6594 8.9122 128.5893 50.8887 22.2809 176.1167 34 N 4.8984 8.7218 118.2985 52.7707 39.2290 175.9092 35 A 4.3974 7.7276 123.9061 51.4135 16.4741 175.1437 36 F 5.4835 7.5553 122.5909 54.5102 43.5620 173.4042 *38 S 4.0576 8.3085 115.5670 58.1513 62.9877 172.0935 39 V 4.1677 8.5465 125.9016 63.9264 33.0286 175.5805 40 S 4.6396 7.4616 112.5837 56.6701 65.5319 173.9612 41 L 3.9845 8.6437 128.1722 56.8462 42.3304 176.3299 42 N 4.8247 7.8180 116.8441 50.4976 39.9958 172.3675 43 P 4.4702 0.0000 0.0000 61.7178 32.6704 176.3812 44 K 4.5554 8.3695 117.5605 56.1886 32.2370 176.2684 45 L 5.4756 8.9616 125.6189 52.8230 45.7641 176.2013 46 V 4.8991 8.9278 120.3641 60.3445 35.5202 173.6551 47 L 5.5037 8.2128 121.6358 53.5708 45.8346 174.9247 48 V 4.8315 8.8307 124.0030 59.9570 35.0741 174.1070 49 S 5.2687 8.7444 117.4974 56.7456 64.2733 173.0870 50 I 4.6243 8.7931 128.2553 59.0202 40.0769 175.6033 51 G 3.7019 8.7336 114.2749 46.0148 0.0000 174.3652 52 E 4.1428 8.8897 121.1679 58.4127 29.6609 178.0306 53 K 4.2797 7.8414 116.2910 56.0653 32.7902 176.2162 54 A 4.2594 7.6457 123.5720 51.4535 18.8921 180.0546 55 K 4.2115 8.4527 125.7042 55.8998 31.4078 178.9647 *57 L 4.3589 7.9534 121.4107 55.1031 44.1667 178.1880 58 E 4.2919 7.9265 117.8252 58.7224 29.3519 178.8753 59 K 3.8313 7.6795 119.1930 59.5989 32.1311 179.3113 60 I 3.6304 7.4465 119.2988 64.1674 36.6313 178.1369 61 Q 4.2080 8.1680 119.0586 59.1054 28.2898 179.2511 62 Q 4.0275 7.9110 118.2186 59.0456 29.0860 178.5070 63 S 4.2129 8.1504 113.7713 59.0354 63.2726 174.4489 64 K 4.0305 8.6209 121.0995 56.3989 30.0693 174.4234 65 K 5.0418 7.6359 115.2019 56.4459 35.6437 174.2387 66 Y 5.0652 8.2554 117.8727 56.2337 41.6743 172.9694 67 A 5.2259 9.0262 122.4719 50.2559 22.6387 175.3952 68 V 4.3051 8.7422 121.2815 61.3586 33.7032 174.4227 69 N 5.1126 8.9144 126.7379 51.5652 40.2150 174.1431 70 I 4.2566 8.4596 126.5474 60.9120 38.6883 175.5340 71 L 4.9230 8.9468 128.2405 53.8231 43.2928 176.9769 72 S 4.7354 9.0721 118.3579 57.7373 64.1069 174.8929 73 Q 3.9597 8.9665 122.5051 59.3305 28.7012 177.4258 74 D 4.7766 8.0478 115.3549 54.3899 41.0449 176.4455 75 Q 4.6321 7.8015 118.6748 55.3505 29.6570 177.8343 76 K 3.5761 8.2194 121.7071 59.3749 32.4204 178.1138 77 V 3.6722 7.6294 117.3290 65.7424 31.9049 176.9088 78 L 4.1246 7.9636 119.4924 57.9582 41.5018 179.4243 79 S 4.3497 7.9218 109.2176 59.4993 62.1097 175.0356 *81 N 4.4924 8.2098 117.5879 53.4194 39.9708 175.8562 82 F 4.4684 8.3368 113.1551 58.3420 39.0424 175.9510 83 A 4.4640 7.7511 122.8768 51.3050 19.1935 177.6517 84 G 3.9171 8.0216 103.8071 46.7387 0.0000 174.8189 85 Q 4.4436 8.1295 116.0893 55.2844 29.5400 175.3977 86 L 4.7228 7.4560 118.1911 52.7784 43.5294 176.6926 87 E 4.0293 8.7741 121.9375 58.0638 29.7648 176.9329 88 K 4.4414 7.6598 119.3094 53.4121 33.9871 173.8055 89 P 4.4933 0.0000 0.0000 62.9001 31.9255 175.7939 90 V 4.3268 7.7444 111.9816 59.4318 34.6171 175.7441 91 D 4.5060 8.4489 122.1653 53.3760 40.6502 175.7400 92 V 3.8930 8.0125 126.7457 61.5131 32.9112 175.2381 93 Q 4.2320 8.2137 125.8794 55.4300 29.4849 174.5620 94 F 5.4699 8.6816 123.3712 56.0215 41.2242 175.5429 95 E 5.0978 9.1124 121.3173 54.9253 32.9119 173.9505 96 E 5.0969 8.6826 118.2755 54.9842 33.0404 175.7525 97 L 4.3546 9.1180 126.8651 55.0122 45.2022 175.5628 98 G 4.1169 9.2197 114.9115 45.5668 0.0000 174.0707 99 G 3.8996 8.4815 104.9970 45.1515 0.0000 173.9770 100 L 4.7311 7.5354 119.9212 51.6412 44.0229 173.9504 101 P 4.8499 0.0000 0.0000 63.1227 31.9432 175.8571 102 V 4.7500 8.9602 116.1581 59.5477 36.5640 174.3895 103 I 4.5260 9.0506 123.7828 59.7887 38.3358 175.8966 104 K 4.0878 8.4062 128.9798 58.0837 32.4482 176.2886 105 D 4.4732 8.9273 123.0972 54.5292 38.4004 174.0249 106 A 4.3193 7.4419 121.8379 52.2182 19.1862 177.7700 107 L 4.1580 8.6674 123.0584 57.4791 43.0861 176.9423 108 A 5.1675 7.6827 117.4723 50.8123 22.9411 175.0013 109 Q 4.8791 9.3462 118.9158 54.1658 32.8080 174.7987 110 I 4.8879 8.6210 123.7807 59.8589 40.9364 174.3629 111 S 4.9501 9.0102 124.3580 57.3627 64.8380 173.5282 112 C 5.2228 8.9297 120.9572 58.0451 32.6803 172.7666 113 Q 4.7977 8.6329 120.7862 53.7966 30.9797 175.3510 114 V 4.2391 8.5611 125.0717 63.4880 31.5732 175.9893 115 V 4.4610 8.7488 120.2787 61.4709 33.7283 175.1891 116 N 4.9210 7.8491 117.3762 52.5450 42.3614 172.6931 117 E 5.0258 8.7061 123.0043 54.5097 33.2295 175.2905 118 V 4.2544 8.4223 123.8059 60.7759 34.5861 174.3581 119 Q 4.4234 8.7365 129.6721 56.1475 30.1004 175.7627 120 A 4.4050 9.2962 129.3347 51.0959 21.4407 177.4102 121 G 3.7839 8.3852 114.3028 47.1106 0.0000 174.9910 122 D 4.4959 8.9060 125.4857 56.9260 40.9210 175.2286 123 H 5.4344 8.2468 114.7112 54.2843 33.9234 172.3002 124 T 4.8768 8.7994 116.1659 61.7696 71.7322 173.4267 125 L 4.6808 8.8844 126.8264 54.0095 43.3851 175.8138 126 F 5.0949 9.3290 124.4525 55.9254 40.5673 175.0655 127 I 4.6128 8.7615 126.5590 60.6886 38.3697 175.5107 128 G 4.3206 9.5793 114.7718 44.2286 0.0000 171.3624 129 E 4.8813 9.0226 126.3578 55.1646 31.1472 175.3103 130 V 4.3175 8.5592 128.3574 63.0875 31.5798 175.4853 131 T 4.4800 8.8715 118.4628 62.8929 70.1686 174.7709 132 D 4.9034 7.7646 119.7861 52.6896 45.6420 174.5860 133 I 4.9707 8.2816 121.3447 59.5132 41.3530 174.5755 134 K 4.6742 9.2545 126.8213 54.7239 35.3576 174.9062 135 I 5.0638 8.4943 126.7631 59.7392 40.4827 174.2970 136 T 4.6967 8.6379 114.1861 59.7591 72.8776 173.5571 137 E 4.4582 8.4490 118.0203 56.3263 29.9527 176.8738 138 Q 4.2673 7.8655 117.1489 55.7700 29.8128 175.5464 139 D 4.8413 8.3527 119.3361 53.4657 42.4863 173.8721 140 P 5.1233 0.0000 0.0000 61.3557 33.2145 175.2411 141 L 4.2377 8.4674 124.8369 55.4369 43.1743 175.7383 142 L 5.3331 8.9333 125.2266 53.0703 45.8357 175.1777 143 F 5.2786 9.2751 122.8917 56.7642 43.0472 173.2474 144 F 4.7912 8.7778 126.9186 57.7691 43.3045 174.1100 145 S 3.2669 8.8365 121.9813 59.4762 60.6784 173.5942 146 G 3.6808 7.6954 105.0764 45.4467 0.0000 173.9630 147 K 4.4389 6.8605 118.1561 54.0219 35.7390 175.1345 148 Y 5.0574 8.2175 118.3986 58.8389 38.9235 174.4934 149 H 5.0577 9.4650 118.6481 54.9600 34.1924 171.9897 150 Q 5.0149 8.4656 117.1778 53.7796 32.4850 175.8738 151 L 4.0464 8.4921 120.6309 54.3302 42.3446 177.3390 152 A 4.0695 8.4444 125.7933 52.5372 18.9967 177.6190 153 Q 4.2297 8.5707 120.3549 56.0166 29.0392 175.6884 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 D 8.22 4.62 0.00 2.74 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 3 D 8.57 4.30 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 4 R 8.28 3.89 0.00 1.84 1.94 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 5 L 7.90 3.94 0.00 1.82 1.86 0.93 0.90 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 6 F 7.93 4.15 0.00 3.07 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 7 R 8.10 3.92 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 8 N 8.24 4.41 0.00 2.84 2.82 0.00 0.00 7.03 7.27 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 9 A 7.90 4.06 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 *11 G 8.09 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 12 K 7.84 3.99 0.00 1.98 1.97 0.00 1.69 0.00 0.00 1.27 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.50 7.81 13 F 8.00 4.64 0.00 2.95 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 14 A 8.23 4.65 1.06 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 0.00 0.00 15 T 9.13 4.59 4.37 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 1.44 0.00 0.00 16 G 8.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.36 4.80 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 1.15 0.00 0.00 1.13 0.00 0.00 18 T 8.85 5.13 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 1.00 0.00 0.00 19 V 8.33 4.52 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 0.12 0.00 0.00 0.88 0.00 0.00 20 I 8.21 4.69 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.75 0.00 0.00 21 T 8.78 5.16 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 1.13 0.00 0.00 22 T 8.73 4.97 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 1.18 0.00 0.00 23 E 8.57 5.06 0.00 1.88 1.71 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 2.12 2.19 0.00 24 L 8.84 4.43 0.00 1.69 1.50 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.97 4.27 0.00 2.85 2.80 0.00 0.00 7.33 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 26 G 8.20 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 0.00 0.00 0.00 0.00 27 A 7.52 4.06 1.21 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 0.00 0.00 28 V 8.00 4.25 1.58 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 -0.14 0.00 0.00 0.51 0.00 0.00 29 H 9.33 4.99 0.00 3.02 3.15 0.00 5.61 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 30 G 8.46 4.55 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 *32 T 8.42 4.41 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 1.30 0.00 0.00 33 A 8.91 4.66 1.21 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 0.00 0.00 34 N 8.72 4.90 0.00 3.05 2.92 0.00 0.00 6.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.73 4.40 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 36 F 7.56 5.48 0.00 2.95 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 *38 S 8.31 4.06 0.00 3.88 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 39 V 8.55 4.17 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 0.81 0.00 0.00 0.91 0.00 0.00 40 S 7.46 4.64 0.00 3.83 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 41 L 8.64 3.98 0.00 1.63 1.67 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.82 4.82 0.00 2.70 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 43 P 0.00 4.47 0.00 2.18 2.08 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 1.99 1.99 0.00 44 K 8.37 4.56 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.67 7.81 45 L 8.96 5.48 0.00 1.55 1.54 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.93 4.90 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 1.18 0.00 0.00 1.15 0.00 0.00 47 L 8.21 5.50 0.00 1.74 1.46 0.91 0.73 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 48 V 8.83 4.83 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 0.35 0.00 0.00 1.02 0.00 0.00 49 S 8.74 5.27 0.00 3.92 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 50 I 8.79 4.62 2.17 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.97 0.00 0.00 51 G 8.73 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 52 E 8.89 4.14 0.00 2.07 2.17 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 2.35 2.28 0.00 53 K 7.84 4.28 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.42 7.81 54 A 7.65 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.45 4.21 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *57 L 7.95 4.36 0.00 1.82 1.82 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.93 4.29 0.00 2.20 2.22 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 2.47 2.19 0.00 59 K 7.68 3.83 0.00 1.68 1.82 0.00 1.34 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.61 1.49 7.81 60 I 7.45 3.63 0.99 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.33 0.33 0.00 0.00 61 Q 8.17 4.21 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.86 2.79 0.00 62 Q 7.91 4.03 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 63 S 8.15 4.21 0.00 4.00 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 64 K 8.62 4.03 0.00 1.94 1.94 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.53 7.81 65 K 7.64 5.04 0.00 1.79 1.68 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.36 7.81 66 Y 8.26 5.07 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 67 A 9.03 5.23 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 68 V 8.74 4.31 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 0.17 0.00 0.00 1.11 0.00 0.00 69 N 8.91 5.11 0.00 2.62 2.67 0.00 0.00 6.59 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 70 I 8.46 4.26 1.83 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 1.02 0.44 0.91 0.00 0.00 71 L 8.95 4.92 0.00 1.67 1.58 1.00 0.41 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 72 S 9.07 4.74 0.00 3.91 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 73 Q 8.97 3.96 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.14 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 74 D 8.05 4.78 0.00 2.70 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 75 Q 7.80 4.63 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.22 3.58 0.00 1.46 1.65 0.00 1.49 0.00 0.00 1.37 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.03 0.27 7.81 77 V 7.63 3.67 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.96 4.12 0.00 1.96 1.92 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.92 4.35 0.00 3.90 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 *81 N 8.21 4.49 0.00 2.74 2.68 0.00 0.00 7.13 7.71 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 82 F 8.34 4.47 0.00 3.11 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 83 A 7.75 4.46 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.02 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 85 Q 8.13 4.44 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 86 L 7.46 4.72 0.00 1.57 1.53 0.92 0.92 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 87 E 8.77 4.03 0.00 1.94 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 2.31 2.24 0.00 88 K 7.66 4.44 0.00 1.64 1.64 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.38 7.81 89 P 0.00 4.49 0.00 2.03 1.92 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 90 V 7.74 4.33 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 0.58 0.00 0.00 0.79 0.00 0.00 91 D 8.45 4.51 0.00 2.60 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 92 V 8.01 3.89 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 0.24 0.00 0.00 0.88 0.00 0.00 93 Q 8.21 4.23 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.68 5.47 0.00 2.95 2.93 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 95 E 9.11 5.10 0.00 2.00 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 2.20 2.24 0.00 96 E 8.68 5.10 0.00 1.90 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 2.17 2.26 0.00 97 L 9.12 4.35 0.00 1.70 1.44 0.92 1.20 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 98 G 9.22 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 0.00 0.00 0.00 99 G 8.48 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.54 4.73 0.00 1.85 1.53 0.94 0.81 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 0.00 101 P 0.00 4.85 0.00 1.72 1.82 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 102 V 8.96 4.75 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 0.75 0.00 0.00 0.99 0.00 0.00 103 I 9.05 4.53 1.82 0.00 0.00 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 0.95 1.37 0.83 0.00 0.00 104 K 8.41 4.09 0.00 1.78 1.67 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 105 D 8.93 4.47 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.44 4.32 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 0.00 107 L 8.67 4.16 0.00 1.80 1.92 0.98 1.00 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 0.00 108 A 7.68 5.17 1.20 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 0.00 0.00 109 Q 9.35 4.88 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 110 I 8.62 4.89 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.97 0.00 0.00 111 S 9.01 4.95 0.00 3.72 3.71 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 0.00 112 C 8.93 5.22 0.00 1.81 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.63 4.80 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.56 4.24 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 1.02 0.00 0.00 1.17 0.00 0.00 115 V 8.75 4.46 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 0.76 0.00 0.00 0.96 0.00 0.00 116 N 7.85 4.92 0.00 2.79 2.62 0.00 0.00 6.97 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 0.00 117 E 8.71 5.03 0.00 1.78 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.38 0.00 118 V 8.42 4.25 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 0.76 0.00 0.00 0.89 0.00 0.00 119 Q 8.74 4.42 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 120 A 9.30 4.41 1.20 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 0.00 0.00 121 G 8.39 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 0.00 0.00 0.00 122 D 8.91 4.50 0.00 2.85 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 0.00 123 H 8.25 5.43 0.00 3.09 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.80 4.88 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 0.50 0.00 0.00 125 L 8.88 4.68 0.00 1.47 1.57 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.33 5.09 0.00 2.87 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 0.00 127 I 8.76 4.61 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.96 0.00 0.00 128 G 9.58 4.32 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 0.00 129 E 9.02 4.88 0.00 2.04 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 2.26 2.44 0.00 130 V 8.56 4.32 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 0.88 0.00 0.00 0.97 0.00 0.00 131 T 8.87 4.48 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 1.22 0.00 0.00 132 D 7.76 4.90 0.00 2.55 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 0.00 0.00 0.00 0.00 133 I 8.28 4.97 1.88 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 1.25 0.61 0.92 0.00 0.00 134 K 9.25 4.67 0.00 1.80 1.59 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 135 I 8.49 5.06 1.88 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 1.41 0.80 0.92 0.00 0.00 136 T 8.64 4.70 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 1.25 0.00 0.00 137 E 8.45 4.46 0.00 1.97 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 2.23 2.25 0.00 138 Q 7.87 4.27 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.35 4.84 0.00 2.61 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 0.00 140 P 0.00 5.12 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 141 L 8.47 4.24 0.00 2.02 1.65 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.93 5.33 0.00 1.81 1.60 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.28 5.28 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.78 4.79 0.00 3.01 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 0.00 145 S 8.84 3.27 0.00 2.79 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 0.00 146 G 7.70 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 0.00 0.00 0.00 147 K 6.86 4.44 0.00 1.62 1.49 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.22 7.81 148 Y 8.22 5.06 0.00 2.98 2.97 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 0.00 149 H 9.47 5.06 0.00 3.08 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.47 5.01 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 151 L 8.49 4.05 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.44 4.07 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 0.00 153 Q 8.57 4.23 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.