NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3418 8.2493 123.5829 52.5030 19.9230 176.3470 2 T 4.6059 8.2703 111.4304 60.7460 71.0748 172.6451 3 K 5.2880 8.2906 123.1176 54.8373 37.2111 176.2438 4 A 5.3930 9.2302 124.7626 50.7512 23.4748 174.8951 5 V 5.0586 8.7906 117.2296 61.1037 35.4318 173.1999 6 C 4.9104 9.0156 121.9306 58.1774 35.3556 172.6318 7 V 4.5747 8.4722 126.3265 61.4951 32.9187 174.2578 8 L 4.7250 8.9037 129.6176 54.0902 42.9864 176.3554 9 K 4.8823 9.2203 122.4499 55.3201 37.0838 175.8499 10 G 4.2276 7.9687 106.9080 46.5738 0.0000 172.2823 11 D 4.6127 8.9334 119.0611 57.2201 41.5878 177.3356 12 G 4.0124 7.6722 111.7857 45.0331 0.0000 171.8343 13 P 4.4804 0.0000 0.0000 63.2930 32.1389 176.2793 14 V 4.2274 7.5480 120.6510 63.0344 32.1382 174.9285 15 Q 4.7842 8.3270 124.2968 55.5157 32.3955 173.4312 16 G 4.1740 7.8346 106.5446 46.4151 0.0000 171.7336 17 I 5.1035 7.8401 119.3878 59.4279 40.7335 175.0461 18 I 4.6135 8.7693 128.1993 59.4977 39.7928 174.6401 19 N 5.1490 8.5192 124.6332 52.0231 40.6694 174.1420 20 F 5.4863 9.3309 120.4372 55.7676 43.1651 173.8171 21 E 5.0412 9.5750 123.2602 54.6731 33.0493 173.8397 22 Q 4.6871 9.8363 128.9946 54.0966 30.9789 175.4685 23 K 3.9852 9.0258 128.6013 58.7310 32.6982 176.5218 24 E 4.8379 7.7290 114.5066 54.1906 32.6221 176.1700 25 S 4.1858 8.6617 114.3206 60.6890 63.3562 174.5833 26 N 4.6703 8.2060 117.0792 52.5684 37.3809 174.3665 27 G 4.1734 7.6552 107.7813 42.8308 0.0000 171.5210 28 P 4.5690 0.0000 0.0000 62.9384 32.2782 176.1936 29 V 4.5469 9.1988 123.5018 61.4236 33.4492 174.8663 30 K 4.8254 9.2344 128.4089 55.8703 33.8701 176.0046 31 V 4.7436 9.2763 124.8155 60.8328 34.3396 174.2229 32 W 5.7395 7.5872 123.5200 55.6375 32.0167 174.5938 33 G 4.3605 7.8930 107.9400 45.1352 0.0000 170.9000 34 S 5.2348 7.8616 115.0441 56.6670 65.8234 173.6557 35 I 4.8980 8.5062 124.4621 59.5147 39.9738 175.0809 36 K 4.7421 9.3254 126.2382 55.3698 35.3256 177.2464 37 G 3.7274 8.8417 108.6843 45.7850 0.0000 173.2249 38 L 4.4501 7.8135 120.2769 52.8426 42.8679 176.5781 39 T 4.1697 8.3438 113.2085 61.2112 69.4319 173.6301 40 E 4.0818 8.7664 124.4608 58.0768 30.4157 175.1816 41 G 3.9981 8.5593 110.1234 43.9739 0.0000 172.0852 42 L 4.8991 8.2054 118.8656 54.5142 43.0941 176.4622 43 H 4.9810 9.2542 119.6095 53.6944 32.9676 173.2129 44 G 4.0773 9.2043 111.3000 47.1948 0.0000 172.4126 45 F 5.4135 8.9161 125.0309 57.0266 42.2068 172.8266 46 H 5.2756 8.8151 122.8258 53.9578 33.6660 172.8653 47 V 4.3733 8.5606 121.7512 62.6196 32.5834 175.1805 48 H 5.1736 9.5356 125.8080 54.4377 30.7984 175.9915 49 E 3.7025 9.0949 122.0181 59.0163 29.3748 177.0197 50 F 4.9347 8.3916 118.4218 54.9461 41.6756 176.6546 51 G 4.1233 8.3817 111.0517 44.6383 0.0000 174.2016 52 D 4.8051 8.0096 118.5034 52.6902 42.6596 174.7249 53 N 5.2224 8.4019 125.5817 53.1626 39.3698 177.4695 54 T 3.8923 8.6284 111.9346 63.8842 68.9526 174.6958 55 A 4.6271 8.0214 124.7071 51.4798 20.2569 178.1878 56 G 3.8799 7.8438 110.3819 47.4953 0.0000 175.2317 57 C 4.1524 8.5678 115.0670 63.0687 28.1728 175.8714 58 T 3.9498 7.9382 117.4783 66.3782 67.8424 175.5206 59 S 4.5315 7.7080 112.3730 59.0125 63.5641 175.3824 60 A 4.4846 7.6079 126.6034 53.7216 18.3520 178.8134 61 G 3.7331 7.8837 105.0297 43.9688 0.0000 170.8884 62 P 4.7020 0.0000 0.0000 61.9295 33.7311 175.0813 63 H 4.4859 8.3912 116.5641 55.7853 29.4877 175.5200 64 F 4.2116 9.1656 125.5037 58.2239 40.2318 174.8824 65 N 5.1466 7.9238 125.7815 51.7283 38.6914 173.2593 66 P 4.1575 0.0000 0.0000 64.9068 32.1011 177.8977 67 L 4.2995 7.5997 115.6127 53.7873 42.2544 176.1247 68 S 3.6091 7.6008 113.9539 59.7273 60.5675 171.5640 69 R 4.4783 8.1875 118.5477 54.6130 32.7122 176.4507 70 K 4.4521 8.9200 118.3286 55.6889 33.8941 176.4910 71 H 4.1603 8.6857 123.2322 56.8505 30.3680 174.7677 72 G 4.0938 7.6192 110.6711 44.2685 0.0000 171.8208 73 G 4.1125 9.1778 109.3356 43.4639 0.0000 173.2889 74 P 4.3657 0.0000 0.0000 65.3501 31.1641 177.6201 75 K 4.2322 7.8884 115.9446 57.2248 32.5577 176.6550 76 D 4.6401 7.6859 119.3867 53.5032 41.6539 176.3303 77 E 3.8968 8.6994 123.4873 59.0351 29.5518 176.6068 78 E 4.1869 7.9978 121.8641 55.6961 28.6678 174.9280 79 R 4.9433 7.5638 119.9441 55.9834 32.2195 174.5742 80 H 4.4200 9.1963 116.6280 55.4425 29.3658 176.7327 81 V 3.4351 8.3798 123.1096 66.3193 31.6391 176.9982 82 G 3.9237 8.4148 105.1239 47.0161 0.0000 173.5803 83 D 5.1961 8.1892 121.5958 53.6853 39.7369 175.9690 84 L 4.4416 8.5305 119.9361 53.2082 42.5630 178.2575 85 G 4.0694 8.4827 108.0104 46.2334 0.0000 173.7502 86 N 5.6559 8.6417 121.0707 51.4098 41.6074 173.6983 87 V 4.4285 8.5702 113.7293 59.8874 35.4945 174.7246 88 T 5.0145 8.2803 118.8421 61.8765 71.1380 173.0788 89 A 4.7924 9.0053 129.0364 50.5900 21.5250 177.2014 90 D 5.0640 8.9785 121.5649 52.1278 41.5272 176.9538 91 K 4.3530 8.4152 116.2589 58.6426 32.8069 176.9777 92 D 4.6176 8.3383 118.8994 54.0147 40.9078 176.3703 93 A 4.5083 8.0892 120.3468 53.2863 16.7179 177.4874 94 V 4.8108 7.8891 118.1519 62.4358 34.4389 174.2667 95 A 4.9673 8.8831 130.2998 49.8858 20.3728 175.5718 96 D 5.2292 8.5746 122.9879 53.8371 40.2107 175.9788 97 V 3.5594 8.6780 123.5904 63.0045 33.0560 175.0372 98 S 4.6004 8.3617 122.3584 57.7440 63.7248 172.7049 99 I 4.7995 9.3285 127.6389 59.1450 41.4520 174.0821 100 E 5.1429 8.8216 125.3540 54.5585 32.2281 174.2518 101 D 4.9435 9.3023 125.7040 52.7352 44.9266 175.7323 102 S 4.8862 8.9277 119.0235 58.5040 63.9464 174.7715 103 V 4.1056 8.1631 121.0277 64.4991 32.0956 176.6465 104 I 4.0578 7.8032 110.9594 61.1457 38.2539 174.4342 105 S 4.6612 8.4682 114.5025 57.4472 65.5081 174.1402 106 L 4.3930 9.1648 122.6991 54.3221 41.4432 176.2787 107 S 4.4565 7.9361 112.5315 58.2169 66.4436 174.9547 108 G 3.8626 8.5146 107.9965 44.9821 0.0000 173.6323 109 D 4.4351 8.7594 117.3471 57.3981 41.0992 176.8884 110 H 5.0202 8.1272 114.4691 55.5020 28.9769 174.0498 111 C 4.5686 8.0195 121.1485 59.7811 31.9020 173.4881 112 I 3.9670 8.1358 118.7136 60.2590 38.1611 175.6624 113 I 3.7432 7.3331 122.7349 63.1248 37.5350 176.3129 114 G 3.8231 9.4752 112.9376 45.4047 0.0000 172.9279 115 R 5.0057 7.3520 119.0926 54.6634 33.7400 174.3261 116 T 4.9987 7.8991 115.4072 62.1120 71.3596 173.6942 117 L 4.5436 8.5363 128.9961 54.4496 43.8250 175.4788 118 V 4.9419 8.7406 125.9315 60.9926 34.9203 174.1870 119 V 5.0361 8.6244 127.2480 60.6116 33.5952 174.9366 120 H 5.2627 9.1992 121.5294 54.0662 30.6795 174.6689 121 E 4.2123 9.4180 121.7424 59.0151 30.0539 176.4354 122 K 4.8166 8.6953 117.0748 53.6891 36.5812 175.7411 123 A 4.3768 8.4173 123.3879 52.4899 18.7672 176.3109 124 D 4.9719 9.8893 123.7598 53.9466 41.3059 176.0022 125 D 4.5834 9.2509 125.7599 53.1467 39.8020 176.7997 126 L 3.4849 9.6441 118.9339 56.1817 39.5096 175.3732 127 G 4.0368 8.8417 104.8062 45.7959 0.0000 174.8282 128 K 4.4853 8.0093 116.3105 55.9851 32.1192 177.3185 129 G 3.7468 8.0031 108.3538 44.8757 0.0000 175.6701 130 G 3.9650 8.3077 107.4118 45.9029 0.0000 172.5525 131 N 5.1024 7.3972 115.9894 49.5399 40.9714 174.5900 132 E 4.0368 8.7155 118.0279 59.4075 29.4629 178.1230 133 E 3.9381 8.1513 118.9269 59.2858 29.5728 178.5388 134 S 4.1201 8.5716 113.7920 61.2911 62.3981 175.4475 135 T 4.3116 7.7851 109.9640 62.4094 68.6255 175.4617 136 K 4.3064 7.7026 119.4294 57.8731 34.3679 176.7270 137 T 4.0699 7.9264 106.2816 60.1052 70.0504 175.3131 138 G 3.9159 8.2723 110.1812 45.5935 0.0000 173.7097 139 N 4.3264 8.0255 114.7894 54.1626 36.6283 175.6784 140 A 4.3216 7.0993 118.5597 51.9246 19.1664 180.1440 141 G 3.7450 7.4129 104.1146 44.9409 0.0000 173.8002 142 S 4.3570 8.7192 116.1118 59.0195 64.4700 174.2238 143 R 4.4435 8.3524 120.9601 55.4328 29.9229 176.5054 144 L 4.3319 8.9283 125.6437 57.3700 43.0964 177.0116 145 A 4.9913 7.6695 117.7688 51.5171 22.7671 174.7300 146 C 5.3904 8.4258 113.5824 59.0847 33.7036 172.6725 147 G 4.5599 7.9691 104.0501 46.1992 0.0000 172.6031 148 V 4.4522 8.3008 120.8714 62.3672 32.7699 175.4413 149 I 4.1916 8.9425 129.4278 60.7470 38.0452 175.2659 150 G 4.4235 8.9649 114.6999 43.8107 0.0000 172.1798 151 I 4.2363 8.3216 121.5802 61.2826 37.6249 175.3472 152 A 4.9551 8.9163 128.2241 49.9322 22.5882 176.1396 153 Q 4.1816 8.4508 115.6431 56.4308 28.8620 175.6179 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 A 8.25 4.34 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 2 T 8.27 4.61 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 1.28 0.00 0.00 3 K 8.29 5.29 0.00 1.71 1.73 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.50 7.81 4 A 9.23 5.39 1.08 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 0.00 0.00 0.00 5 V 8.79 5.06 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 0.78 0.00 0.00 0.95 0.00 0.00 6 C 9.02 4.91 0.00 3.15 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 7 V 8.47 4.57 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.90 4.73 0.00 1.63 1.59 1.04 0.32 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 9 K 9.22 4.88 0.00 1.62 1.62 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 7.97 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 0.00 0.00 0.00 0.00 11 D 8.93 4.61 0.00 2.68 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 12 G 7.67 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 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.19 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 14 V 7.55 4.23 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 0.85 0.00 0.00 0.93 0.00 0.00 15 Q 8.33 4.78 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 16 G 7.83 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 17 I 7.84 5.10 1.77 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 1.19 1.02 0.79 0.00 0.00 18 I 8.77 4.61 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.46 0.00 0.00 19 N 8.52 5.15 0.00 1.44 2.39 0.00 0.00 6.38 8.24 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 20 F 9.33 5.49 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.57 5.04 0.00 2.20 1.88 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 2.29 2.38 0.00 22 Q 9.84 4.69 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 23 K 9.03 3.99 0.00 1.79 1.86 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 24 E 7.73 4.84 0.00 2.17 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 2.26 2.32 0.00 25 S 8.66 4.19 0.00 4.01 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 26 N 8.21 4.67 0.00 2.86 2.96 0.00 0.00 5.83 7.00 0.00 0.00 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 G 7.66 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 28 P 0.00 4.57 0.00 1.99 2.05 0.00 3.69 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 2.05 2.12 0.00 29 V 9.20 4.55 2.23 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 1.35 0.00 0.00 1.07 0.00 0.00 30 K 9.23 4.83 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.45 7.81 31 V 9.28 4.74 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 0.69 0.00 0.00 1.03 0.00 0.00 32 W 7.59 5.74 0.00 3.57 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.89 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.86 5.23 0.00 3.76 3.74 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 35 I 8.51 4.90 1.83 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 1.23 0.67 0.91 0.00 0.00 36 K 9.33 4.74 0.00 1.63 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.35 7.81 37 G 8.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.81 4.45 0.00 1.79 1.46 0.82 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.34 4.17 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 40 E 8.77 4.08 0.00 2.03 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 0.00 2.39 2.50 0.00 41 G 8.56 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 0.00 0.00 0.00 42 L 8.21 4.90 0.00 1.52 1.59 0.92 0.93 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 43 H 9.25 4.98 0.00 3.02 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.20 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 0.00 0.00 0.00 0.00 45 F 8.92 5.41 0.00 3.00 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 46 H 8.82 5.28 0.00 3.09 2.95 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.56 4.37 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 0.93 0.00 0.00 0.92 0.00 0.00 48 H 9.54 5.17 0.00 3.08 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.09 3.70 0.00 1.70 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 1.47 2.06 0.00 50 F 8.39 4.93 0.00 3.00 2.86 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 51 G 8.38 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.01 4.81 0.00 2.61 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 53 N 8.40 5.22 0.00 2.75 2.75 0.00 0.00 6.82 7.05 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 54 T 8.63 3.89 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 1.22 0.00 0.00 55 A 8.02 4.63 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 56 G 7.84 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 0.00 0.00 0.00 57 C 8.57 4.15 0.00 2.95 2.94 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 58 T 7.94 3.95 4.25 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 1.22 0.00 0.00 59 S 7.71 4.53 0.00 4.14 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 60 A 7.61 4.48 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 61 G 7.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.04 2.19 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 63 H 8.39 4.49 0.00 2.84 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.17 4.21 0.00 2.88 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 65 N 7.92 5.15 0.00 2.65 2.46 0.00 0.00 7.18 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 66 P 0.00 4.16 0.00 1.88 1.95 0.00 3.05 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.00 67 L 7.60 4.30 0.00 1.54 1.64 0.90 0.87 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 68 S 7.60 3.61 0.00 3.99 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 69 R 8.19 4.48 0.00 1.89 2.02 0.00 3.11 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 70 K 8.92 4.45 0.00 1.63 1.68 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.37 7.81 71 H 8.69 4.16 0.00 3.25 3.29 0.00 5.90 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 72 G 7.62 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 0.00 0.00 0.00 0.00 73 G 9.18 4.11 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 0.00 0.00 0.00 74 P 0.00 4.37 0.00 2.22 2.33 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 75 K 7.89 4.23 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 76 D 7.69 4.64 0.00 2.77 2.62 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 77 E 8.70 3.90 0.00 1.92 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 2.28 2.28 0.00 78 E 8.00 4.19 0.00 2.06 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 2.34 2.30 0.00 79 R 7.56 4.94 0.00 1.96 1.77 0.00 2.71 0.00 0.00 3.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 80 H 9.20 4.42 0.00 3.47 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.38 3.44 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 0.00 0.00 0.77 0.00 0.00 0.45 0.00 0.00 82 G 8.41 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 83 D 8.19 5.20 0.00 2.67 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 84 L 8.53 4.44 0.00 1.99 1.94 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.48 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 86 N 8.64 5.66 0.00 2.60 2.72 0.00 0.00 6.56 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 87 V 8.57 4.43 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 -0.24 0.00 0.00 0.80 0.00 0.00 88 T 8.28 5.01 4.21 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 1.20 0.00 0.00 89 A 9.01 4.79 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 90 D 8.98 5.06 0.00 2.87 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 91 K 8.42 4.35 0.00 1.89 2.04 0.00 1.16 0.00 0.00 2.36 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 D 8.34 4.62 0.00 2.81 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 93 A 8.09 4.51 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 94 V 7.89 4.81 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 0.98 0.00 0.00 0.99 0.00 0.00 95 A 8.88 4.97 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 96 D 8.57 5.23 0.00 2.57 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 97 V 8.68 3.56 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 0.61 0.00 0.00 0.62 0.00 0.00 98 S 8.36 4.60 0.00 3.89 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 99 I 9.33 4.80 1.93 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 1.13 0.72 1.01 0.00 0.00 100 E 8.82 5.14 0.00 1.96 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 2.21 2.31 0.00 101 D 9.30 4.94 0.00 2.87 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.93 4.89 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.16 4.11 2.28 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 0.79 0.00 0.00 0.96 0.00 0.00 104 I 7.80 4.06 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 1.05 0.00 0.00 105 S 8.47 4.66 0.00 3.84 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 0.00 106 L 9.16 4.39 0.00 1.84 1.64 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.94 4.46 0.00 3.95 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 0.00 108 G 8.51 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 0.00 0.00 0.00 109 D 8.76 4.44 0.00 2.69 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 0.00 110 H 8.13 5.02 0.00 3.24 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.02 4.57 0.00 3.16 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 0.00 112 I 8.14 3.97 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.13 0.95 0.00 0.00 113 I 7.33 3.74 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.89 0.00 0.00 114 G 9.48 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.35 5.01 0.00 1.60 1.86 0.00 2.21 0.00 0.00 2.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 0.00 116 T 7.90 5.00 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 1.24 0.00 0.00 117 L 8.54 4.54 0.00 1.80 1.51 0.38 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.74 4.94 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 0.77 0.00 0.00 0.70 0.00 0.00 119 V 8.62 5.04 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 0.81 0.00 0.00 1.09 0.00 0.00 120 H 9.20 5.26 0.00 3.19 3.60 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.42 4.21 0.00 2.05 2.23 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 2.36 2.34 0.00 122 K 8.70 4.82 0.00 1.68 1.67 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.52 7.81 123 A 8.42 4.38 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 0.00 124 D 9.89 4.97 0.00 2.69 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 0.00 125 D 9.25 4.58 0.00 2.94 2.90 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 0.00 126 L 9.64 3.48 0.00 1.78 1.81 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.84 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.01 4.49 0.00 1.91 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.51 7.81 129 G 8.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.31 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 0.00 131 N 7.40 5.10 0.00 2.89 2.77 0.00 0.00 6.77 7.54 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 0.00 132 E 8.72 4.04 0.00 2.05 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 2.37 2.37 0.00 133 E 8.15 3.94 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 134 S 8.57 4.12 0.00 4.02 4.04 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 0.00 0.00 0.00 135 T 7.79 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 136 K 7.70 4.31 0.00 1.79 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.61 7.81 137 T 7.93 4.07 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 1.14 0.00 0.00 138 G 8.27 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 0.00 139 N 8.03 4.33 0.00 3.08 2.92 0.00 0.00 6.90 7.16 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 0.00 140 A 7.10 4.32 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 0.00 141 G 7.41 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.72 4.36 0.00 3.81 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.35 4.44 0.00 1.64 1.78 0.00 3.18 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 144 L 8.93 4.33 0.00 1.70 1.70 1.00 0.44 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 0.00 145 A 7.67 4.99 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 0.00 146 C 8.43 5.39 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.97 4.56 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 0.00 0.00 0.00 148 V 8.30 4.45 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 0.83 0.00 0.00 0.91 0.00 0.00 149 I 8.94 4.19 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.51 0.39 0.00 0.00 150 G 8.96 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 0.00 151 I 8.32 4.24 1.85 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 1.25 0.53 0.90 0.00 0.00 152 A 8.92 4.96 1.16 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 0.00 0.00 153 Q 8.45 4.18 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00