NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *21 E 4.3429 8.4449 116.7580 55.7434 30.9644 175.0064 22 L 3.6443 8.4440 123.5725 52.6541 42.4158 175.8886 23 L 4.1138 8.4940 124.0069 54.2403 42.9668 176.2530 24 P 4.6599 0.0000 0.0000 65.4153 31.0174 177.4921 25 E 4.4210 8.0431 115.7759 56.9969 29.9316 178.1603 26 I 3.7720 7.5929 115.0482 63.8462 37.5450 178.2667 27 F 3.9554 7.7229 120.1068 60.3659 38.6862 177.4033 28 R 3.8132 8.0447 117.8511 59.6478 29.9938 178.3738 29 Q 4.0492 7.7668 116.4272 59.1477 28.4302 178.9200 30 T 3.8456 7.7581 115.8966 66.5803 68.9554 176.2651 31 V 3.7913 7.9423 120.2072 66.2251 31.5687 177.4385 32 E 4.4528 8.4225 120.3761 58.6708 29.1961 177.6278 33 H 4.6995 7.7363 112.0498 54.5552 29.4918 175.1398 34 A 4.2280 7.2282 124.3997 51.6265 19.1699 176.5643 35 P 4.7338 0.0000 0.0000 61.8791 31.3400 175.8020 36 I 4.7259 7.1396 116.0821 59.9033 41.8908 174.7475 37 A 4.5265 8.6192 130.6419 52.2947 19.5476 176.5126 38 I 5.2510 9.6123 123.7161 59.6236 41.1806 174.8567 39 S 5.2060 9.6263 121.2949 56.4710 66.9037 172.8962 40 I 5.2184 8.8064 121.6250 59.8395 40.0217 174.8256 41 T 5.2303 9.1856 116.7480 59.6206 72.8229 173.6372 42 D 4.8154 8.7259 122.3879 52.5850 40.7128 176.9064 43 L 4.2725 8.3144 117.6960 56.6596 41.5085 178.1258 44 K 4.2528 8.3124 116.6309 56.1705 32.8317 176.9774 45 A 4.0733 8.4917 121.1457 53.3210 16.9469 177.0267 46 N 5.0183 8.4986 116.6733 53.9649 39.4361 174.5988 47 I 4.2745 8.8726 125.0540 61.4989 37.4994 176.5737 48 L 4.6752 9.0277 127.5941 55.9791 43.3242 176.4222 49 Y 4.6963 7.5372 117.7996 56.4251 42.0927 173.0985 50 A 4.5952 7.1865 126.4397 50.0960 22.8805 175.4387 51 N 4.4701 8.4785 118.7406 51.6459 39.7933 176.2207 52 R 3.8840 8.5950 117.6985 59.4815 29.9401 178.1110 53 A 3.9778 8.0493 120.2055 55.0426 18.3266 179.0561 54 F 3.9149 8.5652 118.5934 61.5967 39.5107 177.3907 55 R 4.3048 7.8833 118.3909 59.0648 29.6523 179.2852 56 T 3.8099 7.9082 114.5329 66.8005 68.5914 176.6548 57 I 3.6140 7.8494 120.9291 64.0904 37.3449 177.9652 58 T 4.2445 8.0942 110.0526 61.8350 69.0448 176.7020 59 G 3.7969 8.0436 109.4367 45.0722 0.0000 173.0898 60 Y 4.4556 7.5934 117.9766 57.4070 38.8071 175.8329 61 G 3.9261 9.3374 111.4331 43.6561 0.0000 175.2130 62 S 4.1715 8.6510 118.5410 62.3169 62.3574 177.1656 63 E 4.2878 8.1064 120.1817 60.3312 29.6366 180.0091 64 E 4.5324 8.1532 116.7437 59.0838 30.2767 179.0460 65 V 3.7588 8.1986 120.6610 63.4364 31.4205 176.6600 66 L 4.2604 6.7690 120.1756 55.9240 41.7371 177.7218 67 G 3.9903 9.1738 112.2893 45.3851 0.0000 174.0797 68 K 4.1462 7.6743 119.6007 56.0191 32.8988 176.0333 69 N 5.0954 8.3672 119.6015 52.9925 39.9387 175.7704 70 E 4.0539 8.8428 123.9380 59.7684 29.4362 179.8825 71 S 4.0387 8.5721 114.0747 61.3189 62.4662 176.2640 72 I 3.6056 7.7102 121.5177 63.6399 37.8675 176.6622 73 L 4.6159 8.1800 118.6753 54.1176 41.7249 175.9069 74 S 4.8532 7.5708 115.3526 56.7555 64.1640 174.8001 75 N 4.6346 8.5782 121.4306 53.0342 36.7311 176.0532 76 G 4.0226 7.0815 118.7340 47.2616 0.0000 172.0308 77 T 4.5048 12.0000 111.8687 61.2674 68.1611 173.4871 78 T 4.1181 7.8391 117.1334 62.5016 69.3930 172.8499 79 P 4.3481 0.0000 0.0000 62.4104 32.2421 177.3495 80 R 4.0956 8.7327 121.5025 59.7851 30.0566 178.8755 81 L 4.1884 7.8668 117.8728 56.9827 41.6465 179.4704 82 V 3.5778 7.6572 118.8483 66.3185 31.4643 177.6819 83 Y 4.2025 7.4118 115.9511 61.0310 37.7161 178.0338 84 Q 4.0486 8.7100 120.8759 59.0980 29.1824 178.4209 85 A 3.9440 7.7723 121.4752 54.8916 18.5022 179.1275 86 L 2.0000 6.9018 118.6411 57.6628 41.9989 179.4647 87 W 3.9711 8.3238 119.0277 59.3188 29.0788 178.8817 88 G 3.6734 8.2043 106.2300 47.7109 0.0000 176.1362 89 R 4.1183 7.9328 120.1797 59.0233 30.0642 178.8746 90 L 4.1045 7.7829 118.5473 57.9471 41.3724 179.4427 91 A 4.2053 8.1413 119.1320 54.2510 18.3589 178.5490 92 Q 4.3879 7.3480 113.9360 54.7377 29.1781 175.5717 93 K 4.0024 8.3413 118.4522 57.7592 30.1354 175.3665 94 K 4.9309 7.8811 116.1586 53.7152 35.4756 174.9712 95 P 4.8250 0.0000 0.0000 62.7708 32.5573 174.9109 96 W 5.3205 9.2002 129.4401 56.1650 34.6704 173.7700 97 S 4.6801 7.1809 118.4361 57.2116 66.7199 173.6956 98 G 3.2033 7.7295 108.5163 45.7861 0.0000 172.0255 99 V 5.2329 8.2248 112.3495 59.6182 34.7098 175.4403 100 L 4.5668 8.6858 122.6597 54.5960 44.2334 174.5515 101 V 4.2914 8.2828 120.4869 62.3818 32.5369 174.8265 102 N 5.0860 8.3172 125.7343 51.8060 41.2510 173.8199 103 R 5.0492 8.6451 121.3060 54.8030 32.1917 176.2673 104 R 4.5465 9.1137 125.9267 54.8765 31.4163 177.3622 105 K 3.6887 8.7851 120.2945 58.9824 31.8719 177.2321 106 D 4.4339 7.9528 117.1884 53.8833 39.3650 177.5870 107 K 4.0803 8.3137 120.6039 55.0933 30.4383 180.9819 108 T 4.3051 8.1822 109.3531 62.5557 69.4878 173.1662 109 L 5.4927 8.2017 121.3714 53.3263 45.1660 175.5768 110 Y 4.9497 8.5951 118.9985 55.2758 42.1555 173.8382 111 L 4.5150 8.7403 123.6217 55.0157 43.4844 175.0294 112 A 5.2001 9.2123 129.4443 50.6441 21.2418 175.1429 113 E 4.7481 9.2118 124.5661 54.8020 31.1992 174.2690 114 L 5.3969 8.7697 130.1658 53.4210 44.9067 174.9245 115 T 5.1291 9.2305 116.4523 59.9901 71.5549 173.2818 116 V 5.1283 9.0660 118.1406 59.5294 35.3978 174.5242 117 A 5.1001 8.9302 125.4976 49.5084 22.5835 173.6889 118 P 5.0800 0.0000 0.0000 62.7506 32.9560 175.6440 119 V 4.2926 8.8018 122.5971 61.6888 33.0389 174.4890 120 L 5.2816 8.4572 127.6491 53.0115 44.2455 176.4315 121 N 4.6948 8.7583 120.4870 51.5445 39.1926 175.2665 122 E 3.7834 8.7700 117.8216 59.5152 29.4904 177.5234 123 A 4.1359 7.8841 118.3354 52.5142 18.6916 177.8014 124 G 3.9193 8.3118 104.4994 45.4241 0.0000 173.4041 125 E 4.4910 7.6599 118.9237 54.7109 30.9564 175.7402 126 T 4.4016 8.3324 120.0679 63.6651 69.0306 174.2571 127 I 4.2240 8.4200 118.5688 60.9921 39.8459 174.5689 128 Y 4.8420 7.4433 118.6196 57.0899 43.0028 172.9676 129 Y 5.4897 9.0529 117.5787 56.4682 41.9015 174.9216 130 L 5.1048 9.2464 122.9032 53.1145 44.4353 175.5897 131 G 4.5242 9.3611 111.5284 44.7289 0.0000 172.0436 132 M 5.6735 9.5568 125.5481 54.0224 36.1432 174.1811 133 H 5.5716 9.7556 121.4491 54.6208 32.8165 173.0964 134 R 4.9065 8.7273 119.6022 55.1482 32.8109 175.5202 135 D 5.1908 8.5790 121.9454 53.6095 41.5571 176.0608 136 T 4.5093 9.1826 116.9197 61.8329 69.5356 175.5715 137 S 4.2629 8.8382 118.1869 59.1320 63.3673 174.0071 138 E 4.4131 8.6299 120.3776 55.6538 30.0570 176.1594 139 L 4.0221 7.8648 124.5705 55.2093 41.3341 174.2001 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 *21 E 8.44 4.34 0.00 2.01 1.85 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 2.13 1.91 0.00 22 L 8.44 3.64 0.00 1.91 1.70 1.08 0.77 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 23 L 8.49 4.11 0.00 1.68 1.61 0.91 1.02 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 24 P 0.00 4.66 0.00 2.33 2.38 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 25 E 8.04 4.42 0.00 2.22 2.24 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 2.35 2.35 0.00 26 I 7.59 3.77 1.63 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 1.23 -0.21 0.80 0.00 0.00 27 F 7.72 3.96 0.00 3.04 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 28 R 8.04 3.81 0.00 1.82 1.92 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 29 Q 7.77 4.05 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 30 T 7.76 3.85 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 1.23 0.00 0.00 31 V 7.94 3.79 2.20 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 1.09 0.00 0.00 1.01 0.00 0.00 32 E 8.42 4.45 0.00 2.31 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 2.24 1.99 0.00 33 H 7.74 4.70 0.00 3.23 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.23 4.23 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 35 P 0.00 4.73 0.00 2.19 2.13 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 36 I 7.14 4.73 1.90 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 1.33 0.85 0.96 0.00 0.00 37 A 8.62 4.53 1.19 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 0.00 0.00 38 I 9.61 5.25 2.04 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 1.38 1.32 1.04 0.00 0.00 39 S 9.63 5.21 0.00 3.55 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 40 I 8.81 5.22 1.87 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 1.24 0.70 0.69 0.00 0.00 41 T 9.19 5.23 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 1.29 0.00 0.00 42 D 8.73 4.82 0.00 2.98 2.98 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 43 L 8.31 4.27 0.00 1.68 1.85 0.82 0.38 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 44 K 8.31 4.25 0.00 1.95 1.88 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.46 7.81 45 A 8.49 4.07 1.70 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 46 N 8.50 5.02 0.00 3.14 2.78 0.00 0.00 7.05 6.97 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 47 I 8.87 4.27 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.76 0.00 0.00 48 L 9.03 4.68 0.00 1.57 1.75 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.54 4.70 0.00 3.05 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 50 A 7.19 4.60 0.53 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 0.00 0.00 51 N 8.48 4.47 0.00 3.02 3.18 0.00 0.00 6.63 6.94 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 52 R 8.60 3.88 0.00 2.00 1.95 0.00 3.22 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 1.62 1.52 0.00 53 A 8.05 3.98 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 54 F 8.57 3.91 0.00 3.29 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 55 R 7.88 4.30 0.00 2.14 2.05 0.00 3.20 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.79 0.00 56 T 7.91 3.81 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 1.15 0.00 0.00 57 I 7.85 3.61 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.36 0.39 0.00 0.00 58 T 8.09 4.24 4.38 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 0.55 0.00 0.00 59 G 8.04 3.80 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 0.00 0.00 0.00 60 Y 7.59 4.46 0.00 3.28 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 61 G 9.34 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 62 S 8.65 4.17 0.00 3.85 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 63 E 8.11 4.29 0.00 1.97 1.94 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 2.29 1.92 0.00 64 E 8.15 4.53 0.00 2.18 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 2.43 2.50 0.00 65 V 8.20 3.76 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 66 L 6.77 4.26 0.00 1.84 1.65 0.91 0.87 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 67 G 9.17 3.99 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 0.00 68 K 7.67 4.15 0.00 1.99 1.65 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 1.25 7.81 69 N 8.37 5.10 0.00 2.72 2.66 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 70 E 8.84 4.05 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 2.58 2.54 0.00 71 S 8.57 4.04 0.00 3.98 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 0.00 72 I 7.71 3.61 1.81 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 0.96 0.55 0.76 0.00 0.00 73 L 8.18 4.62 0.00 1.86 1.80 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.57 4.85 0.00 4.10 3.99 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 75 N 8.58 4.63 0.00 2.90 2.76 0.00 0.00 6.71 8.16 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 76 G 7.08 4.02 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 0.00 77 T 12.00 4.50 4.42 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 1.25 0.00 0.00 78 T 7.84 4.12 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 0.54 0.00 0.00 79 P 0.00 4.35 0.00 2.11 1.94 0.00 3.47 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 2.07 2.04 0.00 80 R 8.73 4.10 0.00 1.92 1.97 0.00 3.20 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 81 L 7.87 4.19 0.00 1.77 1.71 0.93 0.87 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 82 V 7.66 3.58 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 0.98 0.00 0.00 0.89 0.00 0.00 83 Y 7.41 4.20 0.00 3.30 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.71 4.05 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 85 A 7.77 3.94 1.54 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 86 L 6.90 2.00 0.00 0.27 1.18 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.32 3.97 0.00 3.46 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 88 G 8.20 3.67 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 0.00 0.00 0.00 89 R 7.93 4.12 0.00 2.13 2.35 0.00 3.32 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.04 0.00 90 L 7.78 4.10 0.00 1.66 1.54 -0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.14 4.21 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.35 4.39 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 93 K 8.34 4.00 0.00 1.93 1.94 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 94 K 7.88 4.93 0.00 1.79 1.72 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.62 7.81 95 P 0.00 4.82 0.00 2.12 2.10 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 96 W 9.20 5.32 0.00 3.23 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 97 S 7.18 4.68 0.00 3.43 3.37 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 98 G 7.73 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 0.00 0.00 0.00 99 V 8.22 5.23 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 0.73 0.00 0.00 0.90 0.00 0.00 100 L 8.69 4.57 0.00 1.64 1.73 1.07 0.76 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 0.00 101 V 8.28 4.29 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 0.90 0.00 0.00 0.89 0.00 0.00 102 N 8.32 5.09 0.00 1.44 2.26 0.00 0.00 6.02 7.25 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 0.00 103 R 8.65 5.05 0.00 1.76 1.84 0.00 3.30 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 R 9.11 4.55 0.00 2.07 1.91 0.00 3.14 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 105 K 8.79 3.69 0.00 0.79 1.36 0.00 1.33 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.09 7.81 106 D 7.95 4.43 0.00 2.79 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 0.00 107 K 8.31 4.08 0.00 1.97 1.89 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.23 7.81 108 T 8.18 4.31 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 1.30 0.00 0.00 109 L 8.20 5.49 0.00 1.53 1.57 0.92 0.83 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 0.00 110 Y 8.60 4.95 0.00 3.12 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 0.00 111 L 8.74 4.51 0.00 1.81 1.64 0.90 1.15 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 0.00 112 A 9.21 5.20 1.24 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 0.00 0.00 113 E 9.21 4.75 0.00 2.06 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 2.19 2.19 0.00 114 L 8.77 5.40 0.00 1.89 1.64 1.04 0.60 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 0.00 115 T 9.23 5.13 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 1.20 0.00 0.00 116 V 9.07 5.13 1.90 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 0.70 0.00 0.00 0.91 0.00 0.00 117 A 8.93 5.10 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 0.00 118 P 0.00 5.08 0.00 2.17 2.31 0.00 3.84 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 2.06 2.13 0.00 119 V 8.80 4.29 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 1.09 0.00 0.00 1.00 0.00 0.00 120 L 8.46 5.28 0.00 1.55 1.54 0.94 1.10 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 0.00 121 N 8.76 4.69 0.00 2.86 2.94 0.00 0.00 6.57 8.26 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 0.00 122 E 8.77 3.78 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 123 A 7.88 4.14 1.27 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 0.00 124 G 8.31 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 0.00 125 E 7.66 4.49 0.00 2.19 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 2.32 2.30 0.00 126 T 8.33 4.40 4.14 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 0.84 0.00 0.00 127 I 8.42 4.22 1.38 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 1.27 0.61 0.81 0.00 0.00 128 Y 7.44 4.84 0.00 2.83 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 0.00 129 Y 9.05 5.49 0.00 2.94 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 0.00 130 L 9.25 5.10 0.00 1.62 1.63 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 131 G 9.36 4.52 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 0.00 132 M 9.56 5.67 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 133 H 9.76 5.57 0.00 3.45 3.43 0.00 5.42 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 0.00 134 R 8.73 4.91 0.00 1.52 1.80 0.00 3.25 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 135 D 8.58 5.19 0.00 2.31 2.47 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 0.00 136 T 9.18 4.51 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 1.29 0.00 0.00 137 S 8.84 4.26 0.00 3.98 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 0.00 138 E 8.63 4.41 0.00 1.96 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 2.22 2.30 0.00 139 L 7.86 4.02 0.00 1.81 1.72 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.