NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1371 8.0549 114.0558 61.0385 33.0351 174.9911 2 L 4.0244 8.2562 124.1833 52.2307 42.3723 175.9819 3 S 4.4906 9.2984 118.5152 57.8855 66.1848 174.9036 4 E 4.2379 8.7687 121.8501 59.3149 29.2017 178.7982 5 G 3.6356 8.0650 105.5583 47.7733 0.0000 175.4784 6 E 3.9757 8.2223 120.9469 58.9030 29.4295 179.4223 7 W 4.3433 8.3842 119.3246 59.7308 28.9894 178.5948 8 Q 4.1269 8.4741 118.2123 58.9826 28.0385 178.5781 9 L 4.0385 7.7834 119.9512 57.9080 41.6420 179.9137 10 V 3.7381 7.7880 117.4218 66.2494 31.6297 178.1298 11 L 4.2910 8.3797 118.4546 57.4572 41.2721 178.9322 12 H 4.1821 8.4058 118.1927 59.4225 30.1632 177.4465 13 V 3.7390 7.8169 114.2887 64.0907 31.3240 178.3407 14 W 3.9112 8.6244 128.0263 60.3289 30.2654 177.8475 15 A 3.9911 8.0697 119.9244 54.6844 17.9815 179.4586 16 K 3.9362 7.8627 117.4558 59.3456 32.1742 179.3400 17 V 2.8163 7.2357 117.9645 65.9601 30.8939 177.3717 18 E 3.9696 7.6915 115.5884 57.8705 29.3726 178.4829 19 A 4.2151 7.6657 120.8111 53.9132 19.8253 177.6950 20 D 4.6541 7.7109 116.3575 52.3432 43.0496 175.5823 21 V 3.4441 7.9316 123.0567 65.4090 31.9990 176.8132 22 A 4.0893 7.9661 120.2363 55.1485 18.3046 179.7240 23 G 3.4559 8.3771 104.2799 48.1028 0.0000 175.7777 24 H 4.1362 8.0858 118.4560 58.4559 28.7273 178.0363 25 G 3.6082 8.4772 107.9504 47.7915 0.0000 175.3556 26 Q 3.8455 8.1244 122.3401 59.0166 29.0551 178.0986 27 D 4.3031 7.9103 119.7600 57.4071 40.7508 179.0825 28 I 3.6402 7.6950 120.0727 64.3703 37.1192 178.4355 29 L 3.3611 7.6301 119.7414 57.6918 41.2608 179.7866 30 I 3.6341 7.5217 119.6509 64.1281 36.9439 178.4203 31 R 3.7981 7.9970 119.7085 59.2322 29.8158 178.3250 32 L 3.9237 7.8769 120.1493 58.3797 42.0084 179.0755 33 F 4.5835 8.2036 118.0577 60.4328 38.5457 177.9556 34 K 4.0303 8.2874 118.0502 59.4578 31.9969 179.3275 35 S 4.2864 8.0497 114.6416 60.3203 64.0254 174.4063 36 H 4.6579 8.2158 119.1100 52.0084 29.2711 171.8787 37 P 4.5670 0.0000 0.0000 64.6023 31.6018 177.3898 38 E 4.0668 8.3324 116.3649 59.7892 29.2570 179.3029 39 T 3.8675 8.2774 111.0419 64.4839 68.7907 176.3555 40 L 3.6238 7.9591 123.3365 57.6367 41.8215 178.2953 41 E 4.0861 7.6705 117.1839 58.4506 29.5985 178.3630 42 K 4.3810 8.0550 117.0647 57.3932 32.6442 177.1729 43 F 4.5672 8.1373 118.8572 55.6729 39.9423 175.7158 44 D 4.4523 8.5768 125.4932 57.1306 40.5393 178.4696 45 R 4.1564 7.7653 113.2533 57.3581 30.0883 176.6461 46 F 5.1037 7.6614 115.8360 57.2072 40.7467 177.2720 47 K 3.9416 7.7032 119.0612 59.4429 31.9219 177.9519 48 H 4.3484 8.1453 112.8640 57.4029 28.8567 175.3839 49 L 4.1007 7.6747 121.4896 54.5426 41.5058 176.5713 50 K 4.3546 9.9293 124.8289 56.7520 33.8945 176.8244 51 T 4.6912 7.5321 107.7800 59.0393 73.0009 174.4263 52 E 3.8944 8.5503 120.7476 59.2849 29.7669 178.3743 53 A 4.0058 7.9729 120.3680 55.3594 18.2360 179.3196 54 E 3.9592 8.0427 115.9606 59.6166 29.8953 179.3201 55 M 4.1389 7.9777 118.7731 58.4568 31.8926 178.8686 56 K 3.8817 8.2389 117.2888 59.2788 32.2532 178.5525 57 A 4.3760 7.5838 118.9264 52.3507 19.0217 177.2484 58 S 4.2656 7.4466 113.3843 57.7029 62.7117 174.5213 59 E 4.0488 8.8305 129.0990 59.0242 29.4935 178.0693 60 D 4.4117 8.1053 118.0478 57.0586 41.4162 177.5001 61 L 3.6121 7.9430 120.8564 58.1066 41.9792 178.6754 62 K 3.7977 7.9076 119.2717 59.6906 32.0294 178.6259 63 K 3.9857 8.3656 118.6277 59.9811 31.9918 178.9305 64 H 4.5359 8.6024 116.0702 57.9442 28.6919 177.8905 65 G 3.7119 8.2802 108.3135 47.9981 0.0000 175.7868 66 V 3.6382 7.6256 120.6528 65.7527 31.5171 177.9744 67 T 3.8821 7.7630 115.0549 66.7772 68.3998 176.5403 68 V 3.6718 7.9972 119.7505 66.2717 31.5604 178.1617 69 L 4.3069 8.0704 118.5592 58.0813 41.3968 179.7035 70 T 4.0266 8.3587 115.9468 66.3208 68.2316 176.8092 71 A 3.9871 7.9589 122.4125 55.0032 18.3763 179.4348 72 L 3.7024 8.0629 119.0310 58.0842 42.2213 179.2105 73 G 3.3388 8.4142 105.7733 47.8844 0.0000 175.4157 74 A 4.0184 7.7740 121.9439 54.6635 18.5656 179.6627 75 I 3.7996 7.2600 118.5526 64.5132 37.2990 178.4051 76 L 3.9129 7.7098 119.9315 57.8091 41.4996 179.3035 77 K 4.0691 7.5343 115.2106 57.6436 32.3065 177.8848 78 K 3.9216 8.0058 118.5143 56.4352 32.8520 176.5248 79 K 2.0000 8.0797 118.3458 56.3499 29.5614 175.2400 80 G 3.9544 7.6523 105.6161 45.7502 0.0000 172.9326 81 H 4.5508 7.4013 119.2367 55.2506 27.5578 174.8892 82 H 5.0991 7.2177 110.6990 55.2696 29.9318 177.1314 83 E 3.9702 8.5103 120.6453 60.6530 29.1154 178.7114 84 A 4.0525 7.9594 118.5812 55.1293 18.8523 178.8688 85 E 4.1627 8.1114 116.4972 58.8377 29.8315 178.6606 86 L 4.0497 8.0890 120.4984 57.4094 42.2487 178.5110 87 K 3.8775 7.9556 119.5174 59.3644 32.1779 176.9971 88 P 4.2973 0.0000 0.0000 65.2425 31.1228 178.4967 89 L 4.0133 7.4813 116.7684 58.1265 42.0358 178.8185 90 A 4.1273 8.1271 120.7134 55.2524 18.2568 179.3004 91 Q 3.8244 8.0984 116.7912 59.3330 28.8853 179.7502 92 S 3.9668 8.1157 114.8632 61.8641 63.1023 176.1743 93 H 4.4515 8.7275 119.8333 57.7975 28.1637 177.7853 94 A 3.0505 7.6631 122.6621 54.6221 18.3426 178.9621 95 T 3.6226 7.3464 106.3375 62.6214 69.6645 175.7958 96 K 4.1109 7.2649 120.7235 58.4923 32.9553 177.1748 97 H 4.2630 8.1399 114.3717 56.3331 29.3534 175.4350 98 K 3.7129 7.6705 116.9031 57.3133 28.6428 176.5070 99 I 4.2033 8.0168 119.3428 58.8443 38.1289 175.0448 100 P 5.1490 0.0000 0.0000 61.9410 31.9787 177.8991 101 I 3.4623 8.0909 121.4363 64.1551 36.9005 178.6324 102 K 3.6909 7.8262 120.2495 59.6760 31.8780 178.2526 103 Y 4.0737 7.7444 116.5836 60.9328 37.6772 178.4529 104 L 4.1102 7.9563 120.0616 57.3712 41.6395 179.0811 105 E 3.9186 7.8614 119.1670 59.1523 29.6497 178.5473 106 F 4.4637 7.6708 117.8317 60.9224 38.9735 177.6088 107 I 3.8700 8.3390 118.3662 63.8743 37.7523 177.8495 108 S 4.2116 8.4177 116.4988 61.9910 62.7641 176.7180 109 E 4.1228 8.4108 120.6647 59.1787 29.1326 179.3129 110 A 4.0746 8.0702 121.1674 55.0988 18.3919 179.7780 111 I 3.7059 8.0988 118.5484 64.6510 37.2303 178.7912 112 I 3.8485 7.9709 120.7371 64.5034 36.9053 177.9129 113 H 4.1115 8.4440 119.2169 59.3756 29.6300 177.5492 114 V 3.5801 7.8546 119.9842 65.8038 31.4970 178.0035 115 L 3.7616 7.9469 118.9215 57.8882 41.0393 179.0032 116 H 4.4722 8.0383 117.4715 59.2347 29.8722 177.2884 117 S 4.1753 7.9601 116.3683 61.4738 62.8045 176.3111 118 R 4.1275 7.8697 118.5594 57.3267 31.3763 176.6281 119 H 4.9777 7.9773 116.1198 53.4555 30.1766 172.6321 120 P 4.2753 0.0000 0.0000 65.9994 31.4821 179.4379 121 G 3.6137 8.1672 106.3326 47.4169 0.0000 173.6054 122 D 4.9053 8.2236 117.3793 54.0728 41.8004 176.1900 123 F 4.9193 8.1462 120.4281 56.5058 39.4801 174.2731 124 G 3.8855 7.5774 109.0691 44.1349 0.0000 172.0803 125 A 3.9249 8.3903 120.7029 54.7941 18.2749 179.6781 126 D 4.1768 7.9144 117.4717 56.3988 39.7086 178.5084 127 A 3.8447 7.6942 121.7801 54.8318 18.4696 178.9763 128 Q 3.3786 7.6116 118.5129 59.1937 28.9918 179.0144 129 G 3.5142 8.2306 106.6120 47.6912 0.0000 175.5260 130 A 3.8718 7.8266 123.1948 55.1187 18.3263 179.4806 131 M 4.0611 8.2235 116.7739 58.5744 32.2319 177.9684 132 N 4.3345 8.3949 117.5044 56.6020 39.1644 177.0472 133 K 3.8860 8.1225 119.6830 59.3094 32.1182 179.2363 134 A 3.8364 7.8400 121.0511 55.1464 18.3821 179.7493 135 L 4.0843 8.3091 117.8920 57.9293 41.6386 179.6079 136 E 4.0113 8.5516 118.9869 59.2080 29.3903 179.0767 137 L 3.9852 8.1029 120.4787 58.1204 42.2049 178.7320 138 F 4.2400 8.3080 120.6214 61.4182 39.2925 177.0916 139 R 3.5635 7.9058 118.1054 58.8447 29.8657 178.3837 140 K 3.8986 8.1607 119.6943 59.5124 32.2075 178.6818 141 D 4.3732 8.1685 119.2511 57.3065 40.6810 178.8280 142 I 3.6241 7.4797 120.1696 64.1693 36.9724 178.3671 143 A 3.7447 7.9484 121.4969 54.7201 18.1233 179.5674 144 A 3.9452 7.9396 119.5076 55.2003 18.4790 179.9624 145 K 3.9310 7.9189 116.5515 59.8118 32.1031 178.8376 146 Y 4.0869 8.5743 117.4407 61.1524 37.9773 178.8641 147 K 3.9325 8.3333 120.1179 59.5486 32.1148 177.9246 148 E 3.9381 7.8826 118.1440 59.7231 29.6097 178.7234 149 L 4.3336 7.6994 115.8029 55.7203 41.8048 177.8916 150 G 3.9004 8.0251 106.8201 45.7333 0.0000 173.6672 151 Y 4.3276 7.6054 115.4459 57.8968 39.4310 176.0604 152 Q 3.6618 7.6177 121.0122 56.0894 27.9126 177.0223 153 G 4.1541 9.0661 114.2151 45.9060 0.0000 171.8741 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 4.14 2.15 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 0.92 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.02 0.00 0.80 0.71 0.55 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.30 4.49 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.77 4.24 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 5 G 8.06 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 0.00 0.00 0.00 6 E 8.22 3.98 0.00 1.97 1.75 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 2.22 2.27 0.00 7 W 8.38 4.34 0.00 3.56 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 8 Q 8.47 4.13 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 9 L 7.78 4.04 0.00 1.84 1.77 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.79 3.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.89 0.00 0.00 11 L 8.38 4.29 0.00 1.95 1.81 0.94 0.89 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 12 H 8.41 4.18 0.00 3.28 3.45 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.74 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 1.15 0.00 0.00 1.22 0.00 0.00 14 W 8.62 3.91 0.00 3.60 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.07 3.99 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 16 K 7.86 3.94 0.00 1.40 1.64 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.43 7.81 17 V 7.24 2.82 0.79 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 -0.07 0.00 0.00 0.18 0.00 0.00 18 E 7.69 3.97 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 19 A 7.67 4.22 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 20 D 7.71 4.65 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.93 3.44 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 22 A 7.97 4.09 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 23 G 8.38 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.09 4.14 0.00 3.21 3.21 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.48 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.12 3.85 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 27 D 7.91 4.30 0.00 2.79 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 28 I 7.70 3.64 1.81 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 1.51 0.69 0.89 0.00 0.00 29 L 7.63 3.36 0.00 1.33 0.86 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.52 3.63 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.87 0.00 0.00 31 R 8.00 3.80 0.00 1.95 2.09 0.00 3.07 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 32 L 7.88 3.92 0.00 1.76 1.49 1.06 1.13 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 33 F 8.20 4.58 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.29 4.03 0.00 1.80 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.58 7.81 35 S 8.05 4.29 0.00 3.68 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.22 4.66 0.00 2.99 2.87 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 2.14 2.09 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 38 E 8.33 4.07 0.00 2.27 2.29 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 2.23 2.51 0.00 39 T 8.28 3.87 4.45 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 0.85 0.00 0.00 40 L 7.96 3.62 0.00 1.42 1.75 -0.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.67 4.09 0.00 2.12 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 0.00 2.36 2.44 0.00 42 K 8.06 4.38 0.00 1.82 1.56 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.83 7.81 43 F 8.14 4.57 0.00 3.20 2.85 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 0.00 0.00 0.00 44 D 8.58 4.45 0.00 2.66 2.71 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 45 R 7.77 4.16 0.00 1.66 1.82 0.00 2.69 0.00 0.00 2.57 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 46 F 7.66 5.10 0.00 2.91 2.71 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 47 K 7.70 3.94 0.00 1.85 1.91 0.00 1.80 0.00 0.00 1.97 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.65 7.81 48 H 8.15 4.35 0.00 3.29 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.67 4.10 0.00 1.61 1.58 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.93 4.35 0.00 1.77 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.45 7.81 51 T 7.53 4.69 4.23 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 1.20 0.00 0.00 52 E 8.55 3.89 0.00 2.04 1.97 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 2.35 2.35 0.00 53 A 7.97 4.01 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 54 E 8.04 3.96 0.00 2.13 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 2.35 2.35 0.00 55 M 7.98 4.14 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 56 K 8.24 3.88 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.43 7.81 57 A 7.58 4.38 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.45 4.27 0.00 3.93 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 59 E 8.83 4.05 0.00 2.14 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 2.40 2.45 0.00 60 D 8.11 4.41 0.00 2.96 2.89 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 0.00 0.00 0.00 0.00 61 L 7.94 3.61 0.00 1.46 1.68 0.11 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.91 3.80 0.00 1.87 1.99 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.37 3.99 0.00 2.22 1.89 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 64 H 8.60 4.54 0.00 3.55 3.60 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.28 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 0.00 0.00 0.00 66 V 7.63 3.64 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 1.11 0.00 0.00 0.99 0.00 0.00 67 T 7.76 3.88 4.53 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 1.29 0.00 0.00 68 V 8.00 3.67 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 1.13 0.00 0.00 1.16 0.00 0.00 69 L 8.07 4.31 0.00 1.81 1.85 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.36 4.03 4.49 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 1.26 0.00 0.00 71 A 7.96 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.06 3.70 0.00 1.63 1.63 0.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.41 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 74 A 7.77 4.02 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 75 I 7.26 3.80 1.80 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 1.53 0.66 0.88 0.00 0.00 76 L 7.71 3.91 0.00 1.33 1.53 -0.17 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.53 4.07 0.00 1.69 1.77 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.33 7.81 78 K 8.01 3.92 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.52 7.81 79 K 8.08 2.00 0.00 1.23 0.74 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.38 0.71 7.81 80 G 7.65 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 81 H 7.40 4.55 0.00 3.14 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.22 5.10 0.00 3.29 3.44 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.51 3.97 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 84 A 7.96 4.05 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 85 E 8.11 4.16 0.00 2.23 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 2.38 2.42 0.00 86 L 8.09 4.05 0.00 1.93 1.69 0.84 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.96 3.88 0.00 1.99 1.82 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 88 P 0.00 4.30 0.00 2.23 2.10 0.00 3.80 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 2.16 0.00 89 L 7.48 4.01 0.00 1.85 1.88 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.13 4.13 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 91 Q 8.10 3.82 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 92 S 8.12 3.97 0.00 3.94 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.73 4.45 0.00 3.44 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.66 3.05 0.06 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 95 T 7.35 3.62 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 96 K 7.26 4.11 0.00 1.54 1.72 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.30 7.81 97 H 8.14 4.26 0.00 3.00 3.19 0.00 5.86 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 98 K 7.67 3.71 0.00 1.85 1.85 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.54 7.81 99 I 8.02 4.20 2.06 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 1.50 1.00 1.09 0.00 0.00 100 P 0.00 5.15 0.00 1.73 1.78 0.00 2.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.74 0.00 101 I 8.09 3.46 1.69 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.70 0.70 0.00 0.00 102 K 7.83 3.69 0.00 1.73 1.67 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 0.72 7.81 103 Y 7.74 4.07 0.00 3.17 3.05 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 0.00 104 L 7.96 4.11 0.00 1.74 1.73 0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.86 3.92 0.00 1.93 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 2.41 2.41 0.00 106 F 7.67 4.46 0.00 3.23 2.88 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 0.00 107 I 8.34 3.87 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 1.10 0.00 0.00 108 S 8.42 4.21 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.41 4.12 0.00 2.28 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 2.65 2.60 0.00 110 A 8.07 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.10 3.71 2.11 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 1.60 0.89 1.06 0.00 0.00 112 I 7.97 3.85 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.08 1.13 0.00 0.00 113 H 8.44 4.11 0.00 3.43 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.85 3.58 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 115 L 7.95 3.76 0.00 0.72 0.52 0.72 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.04 4.47 0.00 3.52 3.56 0.00 5.95 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 0.00 117 S 7.96 4.18 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.87 4.13 0.00 1.60 1.56 0.00 2.71 0.00 0.00 2.82 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 119 H 7.98 4.98 0.00 3.24 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.28 0.00 2.21 2.26 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.17 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.22 4.91 0.00 2.78 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 0.00 123 F 8.15 4.92 0.00 3.06 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 G 7.58 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.39 3.92 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 0.00 126 D 7.91 4.18 0.00 2.83 2.88 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 0.00 127 A 7.69 3.84 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 0.00 128 Q 7.61 3.38 0.00 1.41 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 129 G 8.23 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.83 3.87 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 0.00 131 M 8.22 4.06 0.00 2.44 2.39 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.84 0.00 132 N 8.39 4.33 0.00 2.99 2.93 0.00 0.00 7.17 6.81 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 0.00 133 K 8.12 3.89 0.00 1.85 1.67 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.51 7.81 134 A 7.84 3.84 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 0.00 135 L 8.31 4.08 0.00 1.86 1.82 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.55 4.01 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 137 L 8.10 3.99 0.00 1.90 1.96 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.31 4.24 0.00 3.08 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.91 3.56 0.00 2.14 1.97 0.00 3.09 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 140 K 8.16 3.90 0.00 1.84 2.01 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 141 D 8.17 4.37 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.48 3.62 1.49 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.12 0.46 0.00 0.00 143 A 7.95 3.74 1.23 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 0.00 0.00 144 A 7.94 3.95 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 0.00 145 K 7.92 3.93 0.00 2.16 1.95 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 146 Y 8.57 4.09 0.00 3.11 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 0.00 147 K 8.33 3.93 0.00 1.97 2.01 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.88 3.94 0.00 2.04 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 0.00 2.36 2.40 0.00 149 L 7.70 4.33 0.00 1.83 1.93 0.81 1.08 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 0.00 150 G 8.03 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 0.00 151 Y 7.61 4.33 0.00 2.75 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 0.00 152 Q 7.62 3.66 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.91 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 153 G 9.07 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 0.00 0.00 0.00