NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5036 8.1933 115.5566 58.4479 63.8032 172.2155 5 N 5.5484 8.6678 123.6748 50.8004 42.5199 168.4321 6 V 4.6685 8.7089 118.3612 61.8389 36.1756 172.7154 7 V 5.0035 9.1426 125.5356 61.1047 34.2182 174.0601 8 L 5.0988 9.2253 127.9989 53.0746 44.2237 175.3954 9 V 4.8190 8.4374 124.8251 61.6475 33.1287 175.7530 10 S 4.7883 9.1651 123.3341 57.1132 64.6630 175.5190 11 G 3.6774 8.7892 109.6744 48.1100 0.0000 174.2454 12 E 4.3080 8.3180 117.9504 56.1187 29.6587 177.0567 13 G 3.9525 8.5328 108.1010 45.0587 0.0000 173.2235 14 E 4.3856 7.9285 119.8861 55.3526 31.1939 175.3014 15 R 4.8533 8.3738 123.5434 54.9871 31.8879 175.6565 16 F 4.6659 9.3358 123.3507 55.9312 41.4809 174.7878 17 T 4.8647 8.5976 121.1679 63.1975 69.5178 174.8826 18 V 4.6252 8.6688 118.1458 59.3648 36.8644 174.2697 19 D 4.8528 8.8658 123.2673 54.5919 41.9768 177.2374 20 K 3.9575 9.0631 127.5690 59.4827 32.0231 178.8822 21 K 3.8824 8.0586 118.2689 59.7101 32.3073 178.3535 22 I 3.8610 7.5780 118.6993 64.4834 37.1382 178.3477 23 A 4.1034 8.6445 121.7738 55.0860 17.9327 179.1985 24 E 3.9671 8.1136 116.3329 59.0490 29.5245 178.7660 25 R 4.2030 7.7955 118.5890 58.4474 30.2672 176.4872 26 S 4.3035 8.0286 114.4891 57.9865 62.7192 174.6248 27 L 4.0915 8.5236 128.6014 56.9062 41.1480 179.1884 28 L 3.8796 7.2250 119.1299 57.9448 42.3229 178.4295 29 L 4.0781 8.0278 120.2883 58.0750 41.8770 178.5388 30 K 3.8997 8.0203 118.4241 59.9565 31.5359 178.1385 31 N 4.7057 8.5964 116.8696 55.0239 38.8091 173.7872 32 Y 4.5601 7.7393 121.2722 56.8358 38.1295 173.7649 33 L 5.4060 7.8082 123.9117 52.9669 46.0864 178.8898 34 N 4.0913 7.5210 122.5920 53.6812 43.9608 175.7903 *75 I 4.2918 8.1663 112.7182 59.8932 40.7457 175.2551 76 V 4.8722 7.9371 120.8717 61.1762 33.8418 174.3986 77 M 4.3722 8.7781 128.4335 52.8676 34.2055 173.3852 78 P 4.5664 0.0000 0.0000 62.6112 32.4242 176.7096 79 V 4.5487 8.7028 122.9066 59.4484 29.2626 172.7252 80 P 4.0885 0.0000 0.0000 63.4077 32.5410 176.8630 81 N 4.2332 8.7569 117.3184 54.4271 36.0071 174.4881 82 V 4.2039 7.0474 116.7442 60.1729 33.6545 175.0519 83 R 4.2770 8.4067 126.5613 56.1527 31.8714 177.5405 84 S 4.2965 9.2595 119.1975 62.2463 62.9492 177.7143 85 S 4.1654 8.0600 116.0646 61.1644 62.7759 176.6575 86 V 3.4765 7.6322 121.4695 65.8212 31.3985 177.3995 87 L 3.7766 8.0837 120.5269 58.2401 41.6577 178.8640 88 Q 3.6550 8.0850 119.4981 58.7658 29.0696 177.5430 89 K 3.9933 8.1523 120.9719 59.8839 32.0910 178.6047 90 V 3.7940 7.8780 118.0017 66.3552 31.4078 178.1187 91 I 3.9118 8.1159 119.7492 64.2079 36.8923 178.0340 92 E 4.0964 8.7345 120.8255 58.8996 29.4008 178.6698 93 W 3.9066 8.6021 128.1980 60.4605 30.6224 177.7564 94 A 4.0598 8.8365 121.1190 55.3756 17.6333 179.4636 95 E 3.8634 8.3268 116.2915 59.8066 29.5954 178.8147 96 H 3.8242 7.8784 117.3046 58.5987 29.9559 176.0379 97 H 4.2967 7.6154 116.5464 55.6711 28.3997 177.4229 98 R 3.9119 6.6870 120.3672 58.6934 29.2233 176.5984 99 D 4.7989 7.2812 115.5899 53.5821 42.0949 175.7678 100 S 3.9040 7.9614 116.5716 58.2036 63.2040 173.5278 101 N 4.5838 8.1086 121.8645 51.7687 39.1827 174.5161 102 F 4.9801 8.3811 122.2893 55.3122 40.4730 173.0454 103 P 4.4395 0.0000 0.0000 64.0038 32.3632 174.8848 *115 P 4.2955 0.0000 0.0000 59.6279 33.5938 177.7619 116 V 3.3312 7.8986 112.1298 61.1764 30.7948 170.8510 117 D 4.9465 8.1466 117.6447 52.5995 42.4592 174.5937 118 S 4.5205 8.7900 111.6111 59.3052 64.8500 175.7870 119 W 4.4368 8.3064 128.4173 59.7805 30.4433 177.4372 120 D 4.8624 8.5281 118.2255 56.9416 40.0955 178.4041 121 R 4.0536 7.4453 117.0814 58.8139 30.4772 178.0830 122 E 3.9961 7.9970 118.8058 59.1830 29.5221 178.4655 123 F 3.8069 7.6596 119.6779 60.6762 39.5036 175.4836 124 L 4.3531 8.0558 118.0332 54.4672 41.6629 177.5834 125 K 4.2227 7.4184 122.6740 54.9004 30.3117 175.3014 126 V 4.4761 7.2269 115.5949 57.9305 36.1258 175.3559 127 D 4.6379 8.1823 120.3465 53.1508 41.3617 177.0629 128 Q 4.0361 8.5636 119.0233 59.2890 28.6539 179.1095 129 E 3.9719 8.1308 119.0504 59.5340 29.5652 178.9393 130 M 3.9821 7.8339 117.5927 58.4464 32.2662 177.7827 131 L 3.8563 8.0205 120.5499 58.4418 42.2678 177.9743 132 Y 4.1867 8.2648 119.5209 61.2256 38.5864 178.3586 133 E 3.8066 8.2580 119.0961 59.2809 29.4578 179.3730 134 I 3.6401 8.3205 120.2863 64.3953 37.0510 178.5210 135 I 3.5942 7.9111 120.9831 64.1131 36.8240 178.4705 136 L 3.7787 7.7343 119.5382 57.7905 41.4726 179.3750 137 A 3.9676 8.0638 120.5028 55.1205 18.3554 179.5549 138 A 3.8030 8.1597 119.4368 55.1194 18.4170 179.3732 139 N 4.1374 8.3619 115.9105 57.0488 38.8670 176.4528 140 Y 4.0171 8.4083 119.8204 60.4238 38.7989 177.2576 141 L 4.0074 8.1713 117.7914 53.6264 43.3930 175.1924 142 N 4.1999 7.8619 117.7213 54.7104 37.1995 174.2429 143 I 4.4825 7.5275 119.5568 58.3424 38.8512 176.8678 144 K 3.7704 8.4782 124.8917 59.0890 32.0277 177.0217 145 P 4.2435 0.0000 0.0000 64.8378 31.0515 178.5720 146 L 3.2900 7.0293 119.0582 57.4480 41.9890 178.2260 147 L 3.7445 7.4372 120.2340 58.2942 41.9309 178.3181 148 D 4.3098 8.3906 118.7704 57.7053 40.9573 179.0408 149 A 4.1142 8.0089 121.0763 55.2238 18.2482 179.9766 150 G 3.5530 8.4589 104.6088 47.9743 0.0000 175.8147 151 C 4.1469 8.5772 119.5035 62.5427 28.0704 176.1948 152 K 3.9116 8.2864 120.2355 59.5150 31.4247 179.4684 153 V 3.5771 7.3743 116.6513 65.9826 31.7937 177.6201 154 V 3.8428 8.1198 118.1457 66.3018 31.2277 177.6129 155 A 4.0530 8.3034 120.3939 55.5267 17.9615 179.4543 156 E 3.9444 8.2420 115.9259 59.7528 29.5423 179.2440 157 M 4.2087 7.9816 117.8829 57.4670 32.2713 177.7155 158 I 4.3221 7.8944 119.5548 61.0895 38.4425 175.9230 159 R 3.9622 7.8352 118.5472 58.0362 29.9977 175.7935 160 G 3.9616 8.8019 111.3398 46.2078 0.0000 173.1119 161 R 4.7038 7.9683 117.6100 53.8098 31.6386 177.1912 162 S 4.4956 8.4003 116.3049 57.2857 65.4340 173.6101 163 P 4.2729 0.0000 0.0000 65.6464 31.0299 178.4929 164 E 3.9839 8.3060 116.9502 59.8348 28.9305 179.3009 165 E 3.9645 8.0566 117.6279 59.3789 29.5028 179.3697 166 I 3.7939 8.1060 120.1770 64.5663 37.1403 178.4645 167 R 3.9813 8.1853 118.7555 59.5427 29.7395 179.1753 168 R 3.8761 7.7431 116.8386 59.5246 30.1019 178.3528 169 T 3.8214 8.0437 115.2264 66.0675 68.5611 175.7783 170 F 4.7132 7.7891 115.6694 56.0409 40.0267 174.9290 171 N 4.1718 8.4076 116.2660 54.6519 37.4087 173.8069 172 I 4.3301 7.6461 116.9043 59.4339 38.9677 176.2520 173 V 3.6398 8.1039 125.0238 62.2802 32.0018 175.1419 174 N 4.4028 8.6918 125.7754 53.8787 38.0861 173.5625 175 D 4.8710 7.8882 125.2693 52.7999 39.9527 176.2950 176 F 4.5890 7.5009 118.7807 57.9022 39.7579 176.4253 177 T 4.2301 8.4363 114.8731 61.0013 70.9078 173.8725 178 P 4.3009 0.0000 0.0000 65.8214 31.2864 178.3489 179 E 3.8966 8.3383 117.8028 59.2850 29.4346 178.4368 180 E 3.8704 8.4416 118.5471 59.7301 29.9707 179.4823 181 E 3.8392 8.2204 118.1268 59.0517 29.0881 179.0756 182 A 3.9558 8.0702 120.6533 55.1639 18.3004 179.1760 183 A 3.9331 7.8304 116.4538 53.7411 18.5342 178.9723 184 I 3.9778 7.4655 118.9531 63.0619 37.7839 177.9827 185 R 3.9682 7.1001 113.7443 56.6567 29.4743 176.7757 186 R 4.1725 7.5264 122.9866 56.8984 30.5856 175.7985 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 4 S 8.19 4.50 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.67 5.55 0.00 2.71 2.73 0.00 0.00 6.87 6.79 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 6 V 8.71 4.67 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 0.91 0.00 0.00 0.99 0.00 0.00 7 V 9.14 5.00 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 9.23 5.10 0.00 1.64 1.57 0.93 0.62 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 9 V 8.44 4.82 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 1.01 0.00 0.00 0.97 0.00 0.00 10 S 9.17 4.79 0.00 4.17 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 11 G 8.79 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 12 E 8.32 4.31 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 13 G 8.53 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 0.00 0.00 0.00 14 E 7.93 4.39 0.00 2.05 1.67 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 2.33 2.36 0.00 15 R 8.37 4.85 0.00 1.63 1.86 0.00 3.14 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 16 F 9.34 4.67 0.00 3.20 3.03 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 17 T 8.60 4.86 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 1.24 0.00 0.00 18 V 8.67 4.63 2.14 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 0.76 0.00 0.00 1.13 0.00 0.00 19 D 8.87 4.85 0.00 2.76 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 20 K 9.06 3.96 0.00 1.89 1.81 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.48 7.81 21 K 8.06 3.88 0.00 1.79 2.09 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 22 I 7.58 3.86 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 1.43 0.47 0.93 0.00 0.00 23 A 8.64 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.11 3.97 0.00 2.28 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 2.39 2.50 0.00 25 R 7.80 4.20 0.00 2.09 2.14 0.00 3.43 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 26 S 8.03 4.30 0.00 3.90 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 27 L 8.52 4.09 0.00 1.73 1.69 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.23 3.88 0.00 1.59 1.57 0.69 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.03 4.08 0.00 1.69 1.86 0.98 0.37 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 30 K 8.02 3.90 0.00 1.95 2.00 0.00 2.09 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 31 N 8.60 4.71 0.00 3.03 2.88 0.00 0.00 6.63 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 32 Y 7.74 4.56 0.00 3.12 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 33 L 7.81 5.41 0.00 1.25 1.19 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.52 4.09 0.00 2.55 2.34 0.00 0.00 6.83 7.94 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 *75 I 8.17 4.29 1.92 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 1.27 0.75 0.96 0.00 0.00 76 V 7.94 4.87 2.14 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 0.88 0.00 0.00 0.97 0.00 0.00 77 M 8.78 4.37 0.00 1.89 1.35 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.16 0.00 78 P 0.00 4.57 0.00 1.99 1.98 0.00 3.54 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 2.07 2.11 0.00 79 V 8.70 4.55 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 0.80 0.00 0.00 1.00 0.00 0.00 80 P 0.00 4.09 0.00 1.97 2.11 0.00 3.99 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.00 0.00 81 N 8.76 4.23 0.00 2.70 2.85 0.00 0.00 6.68 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.05 4.20 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 1.01 0.00 0.00 0.85 0.00 0.00 83 R 8.41 4.28 0.00 1.89 1.93 0.00 3.21 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 84 S 9.26 4.30 0.00 4.04 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 85 S 8.06 4.17 0.00 4.05 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 86 V 7.63 3.48 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 0.97 0.00 0.00 0.94 0.00 0.00 87 L 8.08 3.78 0.00 1.59 1.38 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.09 3.66 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.48 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 89 K 8.15 3.99 0.00 2.11 1.92 0.00 1.56 0.00 0.00 1.42 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.13 1.02 7.81 90 V 7.88 3.79 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 1.05 0.00 0.00 0.98 0.00 0.00 91 I 8.12 3.91 1.87 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 1.00 0.00 0.00 92 E 8.73 4.10 0.00 2.39 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 2.71 2.57 0.00 93 W 8.60 3.91 0.00 3.13 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 94 A 8.84 4.06 1.53 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 95 E 8.33 3.86 0.00 2.06 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 2.35 0.00 96 H 7.88 3.82 0.00 2.44 2.28 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.62 4.30 0.00 2.44 2.94 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 6.69 3.91 0.00 1.87 2.11 0.00 2.91 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 99 D 7.28 4.80 0.00 2.47 2.53 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 0.00 100 S 7.96 3.90 0.00 3.35 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 0.00 101 N 8.11 4.58 0.00 2.55 2.67 0.00 0.00 6.92 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 0.00 102 F 8.38 4.98 0.00 3.07 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 0.00 103 P 0.00 4.44 0.00 2.22 2.08 0.00 3.97 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 *115 P 0.00 4.30 0.00 2.15 2.24 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 116 V 7.90 3.33 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 0.73 0.00 0.00 0.97 0.00 0.00 117 D 8.15 4.95 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.79 4.52 0.00 3.90 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 0.00 119 W 8.31 4.44 0.00 3.40 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 D 8.53 4.86 0.00 3.09 3.03 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 0.00 121 R 7.45 4.05 0.00 2.04 2.02 0.00 3.35 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 122 E 8.00 4.00 0.00 1.97 1.67 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 2.24 2.25 0.00 123 F 7.66 3.81 0.00 2.24 3.03 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 0.00 124 L 8.06 4.35 0.00 1.80 1.70 1.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.42 4.22 0.00 2.00 1.67 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 126 V 7.23 4.48 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 0.63 0.00 0.00 0.85 0.00 0.00 127 D 8.18 4.64 0.00 2.93 2.77 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 0.00 128 Q 8.56 4.04 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 129 E 8.13 3.97 0.00 1.97 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 2.37 2.30 0.00 130 M 7.83 3.98 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 131 L 8.02 3.86 0.00 1.81 1.89 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.26 4.19 0.00 3.09 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 0.00 133 E 8.26 3.81 0.00 2.34 1.95 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 2.43 2.81 0.00 134 I 8.32 3.64 1.96 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 1.47 0.76 0.89 0.00 0.00 135 I 7.91 3.59 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.82 0.00 0.00 136 L 7.73 3.78 0.00 1.62 1.53 0.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.06 3.97 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 0.00 138 A 8.16 3.80 1.18 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 0.00 0.00 139 N 8.36 4.14 0.00 2.81 2.96 0.00 0.00 6.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.41 4.02 0.00 2.91 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 0.00 141 L 8.17 4.01 0.00 2.02 1.62 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.86 4.20 0.00 2.86 2.71 0.00 0.00 6.86 7.97 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 0.00 143 I 7.53 4.48 1.62 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.46 0.69 0.00 0.00 144 K 8.48 3.77 0.00 1.76 1.78 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.55 7.81 145 P 0.00 4.24 0.00 1.32 0.83 0.00 3.36 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 146 L 7.03 3.29 0.00 0.27 1.01 0.07 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.44 3.74 0.00 1.67 1.73 0.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.39 4.31 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 0.00 149 A 8.01 4.11 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 0.00 150 G 8.46 3.55 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 0.00 151 C 8.58 4.15 0.00 3.04 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 0.00 152 K 8.29 3.91 0.00 1.96 1.91 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 153 V 7.37 3.58 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.03 0.00 0.00 154 V 8.12 3.84 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 1.03 0.00 0.00 1.06 0.00 0.00 155 A 8.30 4.05 1.41 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 0.00 0.00 0.00 156 E 8.24 3.94 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 157 M 7.98 4.21 0.00 1.90 2.40 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.55 0.00 158 I 7.89 4.32 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.33 0.98 0.00 0.00 159 R 7.84 3.96 0.00 1.79 1.91 0.00 3.41 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 160 G 8.80 3.96 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 0.00 0.00 0.00 161 R 7.97 4.70 0.00 1.85 1.99 0.00 3.39 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 162 S 8.40 4.50 0.00 4.06 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.27 0.00 2.23 2.21 0.00 3.64 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 2.14 2.22 0.00 164 E 8.31 3.98 0.00 2.06 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 0.00 2.42 2.51 0.00 165 E 8.06 3.96 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 166 I 8.11 3.79 2.08 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 1.64 0.70 1.12 0.00 0.00 167 R 8.19 3.98 0.00 2.20 2.02 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 168 R 7.74 3.88 0.00 1.80 2.10 0.00 3.28 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 169 T 8.04 3.82 4.09 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 0.24 0.00 0.00 170 F 7.79 4.71 0.00 3.03 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 0.00 171 N 8.41 4.17 0.00 2.82 2.91 0.00 0.00 7.07 8.80 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 0.00 172 I 7.65 4.33 1.92 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 1.28 0.78 0.88 0.00 0.00 173 V 8.10 3.64 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 0.72 0.00 0.00 0.91 0.00 0.00 174 N 8.69 4.40 0.00 2.74 2.76 0.00 0.00 6.92 8.47 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 0.00 175 D 7.89 4.87 0.00 2.66 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 0.00 176 F 7.50 4.59 0.00 3.20 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 0.00 177 T 8.44 4.23 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 1.25 0.00 0.00 178 P 0.00 4.30 0.00 2.19 2.17 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 179 E 8.34 3.90 0.00 2.04 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 2.37 2.40 0.00 180 E 8.44 3.87 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.81 0.00 181 E 8.22 3.84 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 182 A 8.07 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 7.83 3.93 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 0.00 184 I 7.47 3.98 1.71 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.23 0.74 0.00 0.00 185 R 7.10 3.97 0.00 2.04 2.02 0.00 3.16 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 186 R 7.53 4.17 0.00 1.94 1.97 0.00 3.33 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.