NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0480 8.0393 120.3904 61.8990 32.5210 175.2589 4 P 4.3430 0.0000 0.0000 62.5593 32.0399 173.9574 5 M 4.8512 8.8190 119.1918 53.3434 36.9252 176.2140 6 D 4.6242 8.3800 120.5891 54.5008 42.1178 176.5050 7 T 4.0722 8.1965 118.3647 63.9410 69.5400 173.5213 8 I 4.6186 8.3136 126.9590 60.3914 38.7305 175.2368 9 S 4.4239 8.6123 122.3838 57.4203 65.5990 175.0082 10 G 2.3491 8.1013 110.5516 44.5540 0.0000 171.7328 11 P 3.9443 0.0000 0.0000 62.2351 32.1492 175.6529 12 W 4.5762 8.2008 121.2878 56.1837 31.4824 174.9670 13 G 2.6645 7.9476 104.8106 44.0786 0.0000 172.5124 14 N 4.9742 8.6135 122.4456 51.7011 42.2615 173.7271 15 N 4.6820 8.5604 114.0549 53.2064 38.7969 175.8210 16 G 3.7696 7.8119 108.4400 45.5554 0.0000 173.8820 17 G 3.9868 8.4207 108.2219 44.8107 0.0000 172.1130 18 N 5.1777 8.6330 115.3758 50.9898 41.3093 174.8176 19 F 4.8712 9.0138 124.8841 58.5764 40.3175 174.0683 20 W 5.1494 7.8958 121.0944 55.1440 32.0068 173.7043 21 S 5.0826 8.6285 113.9840 57.4288 65.2408 173.7168 22 F 4.7494 9.9410 129.9973 57.6174 41.9785 173.0903 23 R 4.3682 8.1677 126.9330 53.4577 30.5864 172.8715 24 P 4.3509 0.0000 0.0000 61.4237 32.6091 177.3929 25 V 3.6038 8.1243 112.4696 63.6485 31.6719 176.3321 26 N 4.8080 7.6095 115.9061 50.7837 40.6563 174.0926 27 K 4.0560 8.2468 120.2974 56.4016 32.6913 176.3112 28 I 4.1967 8.4261 127.0501 61.6951 37.0911 175.2859 29 N 5.0724 8.9363 122.3566 52.6020 39.1320 173.9538 30 Q 5.0196 7.8722 120.6592 54.8532 33.1850 173.1473 31 I 4.7833 8.5721 125.5367 59.3976 41.5003 174.2128 32 V 4.4621 8.2485 126.4860 61.0138 34.1841 174.0468 33 I 4.3823 8.2839 129.3210 59.9024 38.9088 174.7255 34 S 4.8018 8.5016 123.7533 57.0863 65.0316 173.0504 35 Y 5.3868 8.8203 121.7800 56.4092 39.8407 174.8345 36 G 4.4183 8.8109 108.1269 45.3133 0.0000 173.4656 37 G 3.9317 9.0447 106.0816 45.2709 0.0000 174.9260 38 G 3.9257 8.2980 105.4353 45.6796 0.0000 173.6901 39 G 4.0717 7.4066 106.2322 44.0407 0.0000 173.0933 40 N 3.5662 8.0848 115.3873 51.5091 37.1578 175.3433 41 N 4.7483 7.4786 116.9772 50.6562 39.1820 173.8261 42 P 4.8102 0.0000 0.0000 62.8195 32.1451 176.4426 43 I 4.8571 8.9098 114.9786 60.8427 40.1689 174.8876 44 A 4.9989 7.6438 122.8430 50.6416 22.7566 174.8277 45 L 4.7595 8.6584 119.4011 52.9799 45.6846 175.7938 46 T 4.5269 8.1679 119.5709 61.5498 71.5457 172.9454 47 F 5.2091 8.3155 124.9045 55.8154 41.9469 174.9318 48 S 5.3898 9.2135 118.3230 56.9331 67.8148 173.0500 49 S 5.2342 9.2845 116.9995 57.0055 65.1349 173.4554 50 T 4.9012 8.9725 120.3365 61.7053 70.2760 174.7029 51 K 4.8439 8.5841 124.7831 53.0636 35.8280 178.3741 52 A 3.9613 8.7901 122.5395 55.5948 18.5325 178.7078 53 D 4.3439 8.1207 114.7817 55.8191 41.2361 177.2334 54 G 4.0464 8.2660 107.2419 45.1260 0.0000 173.6320 55 S 4.5058 7.6120 113.9051 58.4114 64.9566 173.3390 56 K 4.9687 8.1872 120.4830 55.6972 34.8003 174.4511 57 D 4.9975 9.1152 128.0246 54.0883 42.5353 175.4644 58 T 4.8862 8.3307 115.2438 61.2200 70.6436 172.2645 59 I 4.4965 7.8940 125.5470 59.6291 42.0200 173.6044 60 T 4.8822 8.2056 123.3410 61.7203 71.3926 173.7291 61 V 4.0103 8.1874 118.8559 60.4563 35.6126 176.8677 62 G 3.9301 8.7519 111.8211 45.7391 0.0000 173.2551 63 G 3.7840 8.4970 104.7011 46.4707 0.0000 175.0341 64 G 3.6787 8.0011 107.2774 45.7942 0.0000 174.1117 65 G 2.7781 6.8213 108.6640 42.2651 0.0000 171.3093 66 P 4.3209 0.0000 0.0000 63.4445 31.7859 176.3598 67 D 4.4214 7.8288 119.9692 54.6775 41.1535 176.5431 68 S 4.2424 8.4847 118.5418 58.0935 63.8282 173.8695 69 I 4.2397 8.1903 123.9914 61.3531 36.9014 175.7753 70 T 4.4361 8.3782 115.9246 61.2600 69.6170 174.6914 71 G 4.3265 7.4576 108.3391 46.4716 0.0000 172.3952 72 T 5.0575 8.5492 109.8650 59.8947 72.4186 172.7792 73 E 4.7781 8.6839 120.8060 54.7384 33.8541 174.4228 74 M 4.9354 8.5510 121.8242 53.6553 35.3391 174.5855 75 V 4.3076 8.6189 125.8783 61.2146 33.8891 173.8076 76 N 5.3707 8.7577 125.2686 51.6377 40.6053 173.9013 77 I 4.4577 8.6264 126.0419 59.7695 38.8556 176.6816 78 G 3.9888 8.8906 116.7076 44.4822 0.0000 174.4165 79 T 3.8543 8.6392 115.2753 66.8388 68.2343 175.3481 80 D 4.8201 8.0801 116.8851 53.9862 41.1439 175.5333 81 E 4.9154 7.9617 120.7793 54.8173 31.6976 174.5333 82 Y 5.0580 8.4722 121.7561 55.4050 41.9955 174.0014 83 L 4.7549 8.9543 122.0937 55.6506 42.2984 177.5891 84 T 4.5827 9.2370 112.8509 62.1390 71.1364 173.9503 85 G 4.4676 7.9103 107.2786 45.2398 0.0000 171.9216 86 I 5.4580 8.7267 113.4114 59.3459 41.6148 174.1801 87 S 4.0145 7.8749 116.2802 56.9954 66.8820 173.7815 88 G 3.3407 6.0422 105.4124 46.1145 0.0000 171.7200 89 T 5.3621 7.6432 108.5645 60.2873 72.8409 173.0665 90 F 5.1850 9.1602 120.8686 55.7803 43.0054 174.6761 91 G 4.2925 8.4825 107.6989 46.0540 0.0000 172.1305 92 I 4.6590 8.4707 121.2291 61.2452 38.0048 175.6939 93 Y 4.5496 9.1814 127.6308 56.9609 41.6930 175.1012 94 L 3.5536 9.0621 128.2361 56.0087 39.0982 174.8488 95 D 4.7267 8.0946 113.5151 54.3862 39.1398 174.2842 96 N 5.1225 8.0111 116.8999 51.3391 42.4082 173.3838 97 N 5.3134 8.9643 122.0614 53.1144 39.4053 173.8855 98 V 5.0693 9.0646 119.6199 59.4004 37.2416 174.3372 99 L 3.4711 8.9656 124.6027 55.7222 41.7711 176.7213 100 R 4.5895 9.0182 125.1602 57.0941 33.0000 176.1202 101 S 5.1669 7.6259 112.0803 57.1955 66.9206 173.2343 102 I 4.9375 8.6248 120.0954 60.1982 42.0786 173.3803 103 T 4.9157 8.7294 124.4777 61.7254 72.2646 172.8793 104 F 4.9893 9.3023 124.9236 56.3643 41.1697 174.6957 105 T 5.0538 9.0719 122.1688 62.5043 69.2590 174.5591 106 T 5.0699 8.6649 116.0492 59.3643 71.9493 174.5493 107 N 4.2986 7.9192 117.9901 55.7237 37.3322 176.4772 108 L 4.0394 7.3162 118.0079 56.8716 42.4177 176.2178 109 K 4.2425 7.6113 114.8394 55.9870 35.4287 173.5962 110 A 4.4816 8.3785 122.5863 51.6753 19.4570 176.5174 111 H 4.7659 10.0105 120.9735 55.1613 30.1945 173.8757 112 G 3.1046 8.2420 112.0797 42.8789 0.0000 170.8690 113 P 4.2782 0.0000 0.0000 62.5348 32.3656 174.9752 114 Y 4.7352 8.4259 118.6818 57.4919 40.0322 173.4371 115 G 4.5729 8.7748 110.7385 44.3090 0.0000 172.3199 116 Q 4.4554 8.6595 122.0666 54.2830 30.4832 177.1530 117 K 4.3284 8.3047 125.4203 55.0095 30.6642 176.3783 118 V 4.4531 7.3199 112.1674 60.3865 36.5213 175.3069 119 G 3.8693 8.7016 106.2301 44.4302 0.0000 172.0882 120 T 4.6412 8.8592 117.1295 61.7433 69.8998 173.2659 121 P 5.2121 0.0000 0.0000 62.5147 32.9696 175.2702 122 F 5.0031 8.6781 115.2755 55.7119 41.8100 173.2797 123 S 4.6671 7.8040 113.1547 56.8464 65.0506 174.0702 124 S 4.4103 8.4512 121.9312 57.5705 63.5958 175.0182 125 A 4.4302 8.6614 133.5035 52.8778 17.6344 179.3400 *127 V 3.8654 8.3587 115.7497 62.1835 33.1037 173.9534 128 V 3.8561 8.4415 122.4527 61.5517 31.8494 173.2557 129 G 3.8439 9.0131 112.2242 44.8739 0.0000 172.4514 130 N 4.8642 7.8948 117.7915 52.9936 39.7677 173.8485 131 E 5.0640 9.0483 125.3976 54.3773 32.9987 174.6080 132 I 4.4876 8.7322 128.3010 61.3986 37.5092 176.2206 133 V 4.2897 8.3834 119.5099 60.5384 33.0865 175.1438 134 G 4.0480 6.9778 107.1586 46.1077 0.0000 172.1325 135 F 5.5829 8.9930 117.9221 55.7343 43.6484 174.2584 136 L 4.0756 8.3182 120.1003 53.7885 44.3067 175.5477 137 G 3.4473 5.6490 104.1754 46.0067 0.0000 171.5492 138 R 5.4204 7.7207 119.2598 55.0447 35.0542 174.6479 139 S 5.3025 8.9816 114.7728 57.9760 67.2184 175.9176 140 G 4.3156 9.3780 112.1191 46.2819 0.0000 175.2281 141 Y 4.2267 9.3752 125.0918 60.4335 38.8245 173.8844 142 Y 5.5825 7.3821 114.4692 55.5154 41.7472 173.4051 143 V 4.6465 8.4631 121.4590 62.4007 31.9844 176.9924 144 D 4.8350 9.2916 129.5513 57.1438 42.1159 176.4516 145 A 4.7683 8.1582 117.4327 51.2158 22.8131 175.1155 146 I 5.0307 8.9391 119.7310 59.9912 42.3360 174.2525 147 G 4.1719 9.4048 115.2035 45.1236 0.0000 170.7892 148 T 5.0504 8.3980 108.4104 59.9999 72.4629 172.6066 149 Y 5.0551 8.3101 120.5058 56.8998 40.4433 174.6199 150 N 5.6216 9.0151 119.3498 51.9026 43.4592 173.3906 151 R 4.8304 8.7801 120.5628 55.0084 34.2062 173.6121 152 H 4.7854 8.8371 125.3897 55.9631 30.8091 175.0497 153 K 4.1895 8.6459 124.1725 57.1455 32.3055 176.6101 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 3 V 8.04 4.05 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 0.99 0.00 0.00 0.92 0.00 0.00 4 P 0.00 4.34 0.00 2.28 2.02 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 5 M 8.82 4.85 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 6 D 8.38 4.62 0.00 2.56 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 7 T 8.20 4.07 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 1.22 0.00 0.00 8 I 8.31 4.62 1.75 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 0.88 0.53 0.65 0.00 0.00 9 S 8.61 4.42 0.00 3.78 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 10 G 8.10 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 0.00 0.00 0.00 11 P 0.00 3.94 0.00 1.80 1.74 0.00 3.39 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 12 W 8.20 4.58 0.00 2.81 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 13 G 7.95 2.66 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 0.00 14 N 8.61 4.97 0.00 2.62 2.70 0.00 0.00 6.85 7.59 0.00 0.00 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 N 8.56 4.68 0.00 2.69 2.82 0.00 0.00 6.84 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 16 G 7.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 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 18 N 8.63 5.18 0.00 2.71 2.84 0.00 0.00 7.08 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 19 F 9.01 4.87 0.00 2.97 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 20 W 7.90 5.15 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 5.08 0.00 3.69 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 22 F 9.94 4.75 0.00 3.31 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 23 R 8.17 4.37 0.00 1.21 1.36 0.00 3.21 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 0.00 24 P 0.00 4.35 0.00 2.07 1.51 0.00 3.71 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 25 V 8.12 3.60 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 0.66 0.00 0.00 0.90 0.00 0.00 26 N 7.61 4.81 0.00 2.71 2.77 0.00 0.00 6.85 7.61 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 27 K 8.25 4.06 0.00 1.74 1.75 0.00 2.01 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 28 I 8.43 4.20 2.06 0.00 0.00 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 1.80 0.76 1.24 0.00 0.00 29 N 8.94 5.07 0.00 2.95 3.06 0.00 0.00 5.94 7.33 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 30 Q 7.87 5.02 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.55 0.00 31 I 8.57 4.78 1.35 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 0.17 0.00 0.00 32 V 8.25 4.46 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 0.84 0.00 0.00 0.74 0.00 0.00 33 I 8.28 4.38 1.31 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.11 0.58 0.00 0.00 34 S 8.50 4.80 0.00 3.59 3.62 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 35 Y 8.82 5.39 0.00 2.92 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 36 G 8.81 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 0.00 0.00 0.00 0.00 37 G 9.04 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 38 G 8.30 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 39 G 7.41 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 0.00 0.00 0.00 40 N 8.08 3.57 0.00 2.48 2.06 0.00 0.00 6.78 6.92 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 41 N 7.48 4.75 0.00 2.57 1.59 0.00 0.00 7.07 7.91 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 42 P 0.00 4.81 0.00 2.03 2.01 0.00 3.51 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 43 I 8.91 4.86 2.20 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 1.31 0.79 1.11 0.00 0.00 44 A 7.64 5.00 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 0.00 0.00 0.00 0.00 0.00 45 L 8.66 4.76 0.00 1.06 0.62 1.11 0.79 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 46 T 8.17 4.53 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 47 F 8.32 5.21 0.00 2.80 3.11 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 0.00 0.00 0.00 0.00 48 S 9.21 5.39 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 49 S 9.28 5.23 0.00 3.97 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.97 4.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 51 K 8.58 4.84 0.00 1.43 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.22 7.81 52 A 8.79 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.12 4.34 0.00 2.65 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 54 G 8.27 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.61 4.51 0.00 3.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.19 4.97 0.00 1.76 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.63 7.81 57 D 9.12 5.00 0.00 2.87 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 58 T 8.33 4.89 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 1.16 0.00 0.00 59 I 7.89 4.50 1.22 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.10 0.48 0.00 0.00 60 T 8.21 4.88 4.06 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 1.05 0.00 0.00 61 V 8.19 4.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 62 G 8.75 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 63 G 8.50 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 64 G 8.00 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 65 G 6.82 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 0.00 0.00 0.00 66 P 0.00 4.32 0.00 2.15 2.11 0.00 3.30 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 67 D 7.83 4.42 0.00 2.77 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 68 S 8.48 4.24 0.00 3.98 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 69 I 8.19 4.24 1.84 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 1.44 0.77 0.94 0.00 0.00 70 T 8.38 4.44 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 1.32 0.00 0.00 71 G 7.46 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 0.00 0.00 0.00 72 T 8.55 5.06 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 1.08 0.00 0.00 73 E 8.68 4.78 0.00 1.68 1.78 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 2.37 2.53 0.00 74 M 8.55 4.94 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 75 V 8.62 4.31 1.84 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 0.71 0.00 0.00 0.85 0.00 0.00 76 N 8.76 5.37 0.00 2.61 2.70 0.00 0.00 7.09 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 77 I 8.63 4.46 2.01 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 1.15 0.51 1.01 0.00 0.00 78 G 8.89 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 79 T 8.64 3.85 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 1.24 0.00 0.00 80 D 8.08 4.82 0.00 2.71 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 81 E 7.96 4.92 0.00 1.96 2.11 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 0.00 2.26 2.32 0.00 82 Y 8.47 5.06 0.00 3.15 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 83 L 8.95 4.75 0.00 1.95 1.87 1.25 0.91 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 T 9.24 4.58 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 1.19 0.00 0.00 85 G 7.91 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 0.00 0.00 0.00 0.00 86 I 8.73 5.46 1.96 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 1.33 0.00 0.00 87 S 7.87 4.01 0.00 3.55 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 88 G 6.04 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.64 5.36 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 90 F 9.16 5.18 0.00 3.18 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 91 G 8.48 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.47 4.66 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.94 0.00 0.00 93 Y 9.18 4.55 0.00 2.78 2.56 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 94 L 9.06 3.55 0.00 1.35 1.51 0.72 0.87 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 95 D 8.09 4.73 0.00 2.86 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 96 N 8.01 5.12 0.00 3.02 2.88 0.00 0.00 6.58 6.27 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 97 N 8.96 5.31 0.00 2.81 2.86 0.00 0.00 6.84 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 98 V 9.06 5.07 2.46 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 0.90 0.00 0.00 1.12 0.00 0.00 99 L 8.97 3.47 0.00 1.60 1.55 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.02 4.59 0.00 1.66 1.87 0.00 3.26 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 101 S 7.63 5.17 0.00 3.96 3.95 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 0.00 102 I 8.62 4.94 1.86 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 0.33 1.39 0.98 0.00 0.00 103 T 8.73 4.92 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 1.22 0.00 0.00 104 F 9.30 4.99 0.00 3.18 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 0.00 105 T 9.07 5.05 4.40 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 1.21 0.00 0.00 106 T 8.66 5.07 4.28 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 1.39 0.00 0.00 107 N 7.92 4.30 0.00 2.70 2.36 0.00 0.00 6.96 7.08 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 0.00 108 L 7.32 4.04 0.00 1.56 1.87 0.92 0.59 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 0.00 109 K 7.61 4.24 0.00 1.88 1.80 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.15 1.02 7.81 110 A 8.38 4.48 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 0.00 111 H 10.01 4.77 0.00 3.71 3.59 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.24 3.10 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 0.00 0.00 0.00 113 P 0.00 4.28 0.00 2.06 1.91 0.00 3.57 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 1.85 1.86 0.00 114 Y 8.43 4.74 0.00 3.21 3.07 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 0.00 115 G 8.77 4.57 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 0.00 0.00 0.00 116 Q 8.66 4.46 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.41 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 117 K 8.30 4.33 0.00 1.69 1.72 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.38 7.81 118 V 7.32 4.45 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 0.69 0.00 0.00 0.93 0.00 0.00 119 G 8.70 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 0.00 0.00 0.00 120 T 8.86 4.64 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 0.00 121 P 0.00 5.21 0.00 2.01 2.00 0.00 3.76 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 1.99 1.96 0.00 122 F 8.68 5.00 0.00 2.56 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 0.00 123 S 7.80 4.67 0.00 3.59 3.53 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 0.00 124 S 8.45 4.41 0.00 4.12 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.66 4.43 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 V 8.36 3.87 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 0.73 0.00 0.00 0.93 0.00 0.00 128 V 8.44 3.86 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 0.88 0.00 0.00 0.93 0.00 0.00 129 G 9.01 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 0.00 0.00 0.00 130 N 7.89 4.86 0.00 2.88 2.79 0.00 0.00 6.76 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 0.00 131 E 9.05 5.06 0.00 1.94 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 2.23 2.59 0.00 132 I 8.73 4.49 1.93 0.00 0.00 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 1.39 0.74 0.57 0.00 0.00 133 V 8.38 4.29 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 0.64 0.00 0.00 1.00 0.00 0.00 134 G 6.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.99 5.58 0.00 2.85 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 0.00 136 L 8.32 4.08 0.00 1.39 1.50 0.80 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 137 G 5.65 3.45 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 0.00 138 R 7.72 5.42 0.00 1.84 2.00 0.00 3.19 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 139 S 8.98 5.30 0.00 4.12 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.38 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 0.00 141 Y 9.38 4.23 0.00 2.03 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 0.00 0.00 0.00 0.00 142 Y 7.38 5.58 0.00 3.18 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 0.00 143 V 8.46 4.65 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 1.44 0.00 0.00 0.99 0.00 0.00 144 D 9.29 4.84 0.00 3.04 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 0.00 145 A 8.16 4.77 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 0.00 146 I 8.94 5.03 2.31 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 1.19 0.00 0.00 147 G 9.40 4.17 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 0.00 0.00 0.00 148 T 8.40 5.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 149 Y 8.31 5.06 0.00 2.90 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 0.00 150 N 9.02 5.62 0.00 2.72 2.91 0.00 0.00 6.29 7.37 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 0.00 151 R 8.78 4.83 0.00 1.84 1.69 0.00 3.07 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 152 H 8.84 4.79 0.00 3.23 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.65 4.19 0.00 1.54 1.67 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.55 7.81 * Residues marked with a * may have inaccurate shift predictions.