NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4131 8.1933 116.6412 58.5085 64.7327 172.1827 2 Y 5.2290 8.3747 122.3694 56.0169 40.6450 173.8392 3 S 4.8181 9.7561 121.5274 57.1823 65.5577 173.2823 4 I 4.2518 8.2253 123.2838 60.2733 37.8949 174.5971 5 T 4.3028 7.6739 120.6138 64.9451 70.7461 174.4091 6 T 4.2902 7.3789 117.2027 62.2781 69.7011 174.3895 7 P 4.5028 0.0000 0.0000 64.8832 31.6585 178.0137 8 S 4.3419 8.1319 114.1132 61.3923 62.6165 174.7892 9 Q 4.5407 8.1900 120.3826 57.3754 28.4893 177.1661 10 F 3.9563 8.3406 120.9694 61.3197 39.1502 176.2447 11 V 3.7514 7.8925 117.4608 64.9781 31.2660 177.5107 12 F 4.2309 8.2258 117.5162 58.9500 38.7945 176.2451 13 L 4.6569 7.6302 116.6085 55.1572 42.5318 175.0932 14 S 3.7274 6.8985 111.9868 54.7194 66.6582 173.5730 15 S 4.8797 8.4111 116.7174 58.4217 62.2205 174.4394 16 A 4.5787 7.8144 119.9181 51.3167 21.2945 177.7407 17 W 4.9205 8.3205 115.4201 56.3387 31.5756 174.7545 18 A 5.1370 8.8497 121.5550 52.8756 23.0651 174.3545 19 D 5.2675 8.4080 117.8387 52.5548 42.9578 176.0142 20 P 4.4050 0.0000 0.0000 65.9208 31.2527 178.8539 21 I 3.8347 7.7798 112.4904 63.7221 37.4725 177.8147 22 E 4.0140 8.1595 119.0697 58.3735 29.8120 178.3808 23 L 4.1536 7.7498 120.6938 58.0557 42.2947 178.9122 24 I 3.8376 7.6921 119.1529 63.8893 36.4313 177.9234 25 N 4.3271 7.9420 118.5677 56.2240 38.5597 175.8761 26 L 4.6400 7.3704 116.5188 54.9486 42.3054 177.8176 27 C 4.4353 7.5423 118.5093 62.8498 28.3957 176.1371 28 T 4.0412 7.7104 115.5440 66.5288 68.4152 175.8641 29 N 4.4828 7.7226 115.9987 54.8307 38.5740 175.6398 30 A 4.5078 7.8132 120.1487 52.7791 20.2829 178.3425 31 L 4.1599 7.8742 116.7688 57.0629 42.1564 177.6925 32 G 3.9355 7.1680 106.9547 43.7822 0.0000 172.4076 33 N 4.4861 7.3722 122.2328 53.3706 41.4501 173.0918 34 Q 4.1576 8.0024 116.8016 54.9992 31.5434 174.0949 35 F 5.1552 8.5672 122.2041 58.0350 39.0841 176.4247 36 Q 4.6302 8.2126 116.8649 55.4975 29.6580 175.7297 37 T 4.6586 7.5364 109.2511 59.8751 72.6230 175.4478 38 Q 4.0372 8.3294 120.0533 59.3414 28.9215 178.6921 39 Q 4.0591 8.1330 119.4876 58.8467 28.3097 177.8679 40 A 4.1504 7.9793 121.5908 54.5948 17.9712 178.9429 41 R 4.5511 7.8236 115.6358 59.1165 30.0737 178.7188 42 T 3.9383 7.9741 115.7973 66.2200 68.4097 176.7944 43 V 3.5989 7.6675 119.8488 65.6623 31.6472 178.3089 44 V 3.7270 7.3687 118.3997 65.7295 31.4938 177.7567 45 Q 3.3177 7.5062 118.4471 58.5999 28.5827 178.1127 46 R 3.9673 7.2026 118.2018 58.9499 30.3570 178.4057 47 Q 3.9961 8.0148 119.6650 58.9318 28.8374 177.9592 48 F 3.6962 7.5638 118.1583 59.6310 38.9032 177.2495 49 S 3.9796 7.2240 112.1453 60.6095 63.3903 175.5719 50 E 4.1312 7.5359 121.2142 57.7289 29.2610 178.0113 51 V 3.7948 7.1121 109.4293 62.0268 31.5716 175.2310 52 W 5.1767 7.5995 121.2322 54.9359 30.5614 175.3307 53 K 4.8694 8.6546 126.5284 53.9525 34.6605 173.0226 54 P 5.2615 0.0000 0.0000 60.5621 33.5270 175.2933 55 S 4.6829 7.8715 113.5947 56.5881 62.7163 174.5986 56 P 4.2406 0.0000 0.0000 61.7453 30.2382 175.1587 57 Q 4.5209 7.7258 128.0115 54.6592 30.8984 174.7955 58 V 3.9161 7.6450 119.1115 65.8671 31.9753 177.7467 59 T 3.9873 7.8425 119.6624 65.4814 68.8284 173.8208 60 V 4.5121 7.4160 119.5108 61.2105 34.3763 173.5035 61 R 4.4610 7.5705 118.5073 54.4796 32.4386 174.0805 62 F 4.0578 8.7135 124.3328 57.3772 39.6766 173.1935 63 P 4.0530 0.0000 0.0000 63.1342 31.0654 175.4849 64 D 4.3826 7.8646 121.8703 56.8930 41.3669 176.9908 65 S 4.5007 7.7058 113.0235 58.3903 63.3998 173.2502 66 D 4.9911 7.5792 119.0721 52.8060 43.5032 175.1413 67 F 4.6854 8.7101 123.3252 56.5290 40.5984 175.6326 68 K 5.0153 8.6413 122.1699 55.0151 36.6345 176.0620 69 V 4.3730 9.0436 125.5270 61.2518 32.8971 174.5991 70 Y 4.2069 8.2193 124.3504 55.8510 39.8962 175.4594 71 R 3.2522 8.0287 128.1631 59.5906 29.7863 177.3197 72 Y 4.1107 6.4117 120.0649 55.1746 37.2034 172.2619 73 N 4.4865 6.9521 119.7866 51.0748 40.9591 175.2202 74 A 3.6842 8.2098 128.4538 54.5220 18.4885 178.9590 75 V 3.8428 7.3343 116.3217 64.3529 32.8494 177.9870 76 L 4.1528 7.7836 120.0316 56.2400 41.5638 178.7147 77 D 4.2115 7.6748 117.8961 56.9092 41.2530 176.4472 78 P 4.2445 0.0000 0.0000 65.4303 31.2198 178.6082 79 L 4.0154 7.7987 117.5163 57.5995 41.4702 179.5147 80 V 3.6771 7.6020 118.0548 65.9820 31.1689 177.7526 81 T 4.0203 8.0818 111.9931 63.7306 67.1542 175.3764 82 A 4.4148 7.7547 120.8747 52.5403 19.2002 178.7668 83 L 3.8552 7.4151 119.8077 58.0610 42.1752 178.8504 84 L 4.0722 7.9435 117.4620 57.1507 41.5135 179.5293 85 G 3.6961 7.5694 104.9827 47.4166 0.0000 175.2384 86 A 4.2487 7.4763 120.7603 52.9530 18.8741 178.6151 87 F 3.6845 7.4111 115.9075 60.2583 39.0555 175.3472 88 D 4.5477 7.9972 121.2733 54.2406 40.2332 175.5926 89 T 4.5039 8.1735 123.3555 62.6584 72.1078 173.7536 90 R 4.7747 8.2543 124.9517 53.9709 33.4442 175.8958 91 N 4.4888 8.9320 117.6714 56.4602 38.7598 177.2975 92 R 4.2833 7.9532 114.3768 58.1901 30.1458 178.0699 93 I 3.6286 7.8469 113.3587 64.4597 37.0607 177.2435 94 I 3.9313 7.8213 121.6586 64.0426 36.7121 177.7295 95 E 4.0207 7.9403 119.2178 59.4783 29.4273 179.5914 96 V 3.9744 7.3931 118.6148 63.8067 31.4633 176.1017 97 E 4.1297 8.0317 119.1102 56.4153 29.4110 175.1501 98 N 5.0577 8.1742 121.0405 52.3889 38.6116 175.3113 99 Q 4.3582 8.1695 118.8793 58.3014 30.6233 175.5144 100 A 3.9758 7.5604 122.8175 53.7042 23.2161 173.7493 101 N 4.4724 9.1454 124.9008 54.4160 38.7160 172.3742 102 P 4.2505 0.0000 0.0000 64.8980 31.9929 173.5356 103 T 3.4854 7.9167 122.5846 63.2066 68.9397 172.7876 104 T 3.8869 8.6676 122.1877 66.9069 66.7473 176.1879 105 A 3.9940 7.9775 122.0327 55.1807 18.1829 179.1239 106 E 4.0597 8.2785 117.7279 59.3939 29.6877 178.3147 107 T 4.2387 7.6690 112.9529 63.8753 68.7682 176.3778 108 L 3.9821 7.5676 122.8831 57.4062 42.1798 177.1923 109 D 4.6848 7.6140 114.5376 54.5547 41.6303 177.4940 110 A 3.9204 7.4956 120.7846 55.2047 18.7201 179.1639 111 T 3.8902 7.7444 111.5987 64.6696 67.3520 176.5712 112 R 3.9041 7.8099 120.7033 59.4846 29.6739 178.4441 113 R 3.9874 7.6143 117.6403 59.1306 29.9119 179.2180 114 V 3.7832 7.4348 111.2850 63.5629 31.8014 177.5569 115 D 4.5356 7.8480 117.7078 56.8600 41.3977 177.9780 116 D 4.5076 8.2117 118.7713 56.6052 40.9298 178.4978 117 A 3.9600 7.6768 121.1126 55.2425 18.3001 179.5166 118 T 3.8903 7.5377 112.9716 67.0814 68.5798 176.8824 119 V 3.6304 7.6209 119.2122 65.5447 31.6306 177.6879 120 A 3.9099 7.7385 120.4422 55.2316 18.3218 179.5764 121 I 3.4796 7.2585 110.2388 63.0737 37.5479 178.1801 122 R 4.1094 7.9568 121.4870 59.1104 29.9766 178.0838 123 S 4.2724 8.2484 113.3773 60.3178 63.3944 176.4009 124 A 3.9389 7.8812 124.9856 55.1052 17.8829 179.5281 125 I 3.7281 7.6625 118.4073 64.6643 37.0686 178.2316 126 N 4.3943 8.0842 117.9347 56.1531 37.9789 176.0647 127 N 4.5173 8.2055 117.9612 55.3060 38.9827 176.6392 128 L 4.2536 7.7611 121.0880 57.7780 42.2561 178.3965 129 I 4.0972 7.5727 119.7961 63.7021 37.1866 178.0583 130 V 3.8440 7.5511 117.7107 63.3087 31.1973 176.6521 131 E 4.5690 7.7040 119.6479 56.4303 30.9158 176.2329 132 L 4.4261 7.3551 118.2969 55.4954 40.9082 176.6958 133 I 4.3737 7.4257 118.3104 61.6467 39.1801 177.5804 134 R 4.0218 7.8978 119.2214 57.7857 30.3642 175.4811 135 G 3.6019 7.3070 108.9958 45.9778 0.0000 174.0587 136 T 3.7445 7.5997 115.7069 62.5130 67.1972 172.3812 137 G 3.9909 8.1029 116.0283 45.7560 0.0000 173.1135 138 S 5.1655 7.8318 117.0284 57.4471 67.0732 173.9443 139 Y 4.8643 9.2752 122.8172 58.2309 40.5812 173.6765 140 N 4.8433 9.4477 114.6662 53.7777 39.6656 177.2275 141 R 3.7808 8.0746 120.3397 58.9198 31.5063 177.9969 142 S 4.0281 8.1759 110.2188 60.1024 62.7009 175.6170 143 S 4.5152 7.8979 117.4200 60.9873 62.9272 175.7075 144 F 4.2913 8.7195 123.4694 61.6829 38.7636 176.8666 145 E 3.4901 7.7248 117.3595 58.2568 29.4735 177.9077 146 S 4.6674 7.7480 111.3755 58.0262 64.0427 174.3999 147 S 4.7612 7.3474 116.6956 58.1619 63.2135 174.0542 148 S 4.1223 7.7565 113.8835 59.0221 64.2652 174.9769 149 G 3.5802 7.4609 111.2751 43.6273 0.0000 172.5646 150 L 4.2513 7.6945 126.7569 54.3243 42.4643 175.6256 151 V 4.5529 7.8957 116.7084 60.8638 34.4812 173.8992 152 W 5.2760 8.7807 133.7997 56.1872 32.0821 175.1177 153 T 4.5724 6.8061 115.6580 60.2855 71.8881 173.7111 154 S 3.9137 8.0371 115.9419 58.7217 62.1064 173.6254 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 S 8.19 4.41 0.00 3.36 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.37 5.23 0.00 3.03 2.73 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 3 S 9.76 4.82 0.00 3.75 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 4 I 8.23 4.25 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.22 1.06 0.00 0.00 5 T 7.67 4.30 4.18 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 1.18 0.00 0.00 6 T 7.38 4.29 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 1.23 0.00 0.00 7 P 0.00 4.50 0.00 2.18 2.19 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 8 S 8.13 4.34 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.19 4.54 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.22 1.73 0.00 10 F 8.34 3.96 0.00 3.17 3.08 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 11 V 7.89 3.75 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 0.74 0.00 0.00 0.90 0.00 0.00 12 F 8.23 4.23 0.00 3.34 3.36 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 13 L 7.63 4.66 0.00 1.60 1.69 0.81 0.93 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 14 S 6.90 3.73 0.00 4.08 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 15 S 8.41 4.88 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.81 4.58 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 W 8.32 4.92 0.00 3.30 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 18 A 8.85 5.14 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 0.00 0.00 19 D 8.41 5.27 0.00 2.80 2.59 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 0.00 0.00 0.00 0.00 20 P 0.00 4.41 0.00 2.33 2.39 0.00 3.91 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 21 I 7.78 3.83 1.88 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 1.81 0.82 0.91 0.00 0.00 22 E 8.16 4.01 0.00 2.16 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 2.33 2.39 0.00 23 L 7.75 4.15 0.00 1.86 1.75 1.05 1.25 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 24 I 7.69 3.84 1.94 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 1.45 0.64 0.93 0.00 0.00 25 N 7.94 4.33 0.00 3.08 2.78 0.00 0.00 6.98 6.56 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 26 L 7.37 4.64 0.00 1.44 1.46 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 C 7.54 4.44 0.00 3.11 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 28 T 7.71 4.04 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 1.23 0.00 0.00 29 N 7.72 4.48 0.00 2.78 2.87 0.00 0.00 6.92 7.23 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 30 A 7.81 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 31 L 7.87 4.16 0.00 1.99 1.89 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.37 4.49 0.00 2.62 2.01 0.00 0.00 7.04 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 34 Q 8.00 4.16 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.39 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 35 F 8.57 5.16 0.00 3.03 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 36 Q 8.21 4.63 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 37 T 7.54 4.66 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 1.23 0.00 0.00 38 Q 8.33 4.04 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 39 Q 8.13 4.06 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 40 A 7.98 4.15 1.47 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 41 R 7.82 4.55 0.00 2.05 2.01 0.00 3.17 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 42 T 7.97 3.94 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 1.21 0.00 0.00 43 V 7.67 3.60 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.03 0.00 0.00 44 V 7.37 3.73 2.49 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 1.37 0.00 0.00 1.24 0.00 0.00 45 Q 7.51 3.32 0.00 1.37 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 1.96 1.58 0.00 46 R 7.20 3.97 0.00 1.86 1.93 0.00 3.19 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 47 Q 8.01 4.00 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 48 F 7.56 3.70 0.00 2.94 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 49 S 7.22 3.98 0.00 4.01 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 50 E 7.54 4.13 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 51 V 7.11 3.79 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 0.54 0.00 0.00 0.23 0.00 0.00 52 W 7.60 5.18 0.00 3.33 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.65 4.87 0.00 1.79 1.69 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 54 P 0.00 5.26 0.00 2.16 2.26 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 55 S 7.87 4.68 0.00 3.85 3.81 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 0.00 0.00 0.00 56 P 0.00 4.24 0.00 2.02 0.91 0.00 3.64 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.51 0.00 57 Q 7.73 4.52 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.14 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 58 V 7.65 3.92 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 1.06 0.00 0.00 0.96 0.00 0.00 59 T 7.84 3.99 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 60 V 7.42 4.51 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 0.72 0.00 0.00 0.95 0.00 0.00 61 R 7.57 4.46 0.00 0.67 0.79 0.00 2.98 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.50 0.00 62 F 8.71 4.06 0.00 2.89 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 63 P 0.00 4.05 0.00 1.68 1.77 0.00 2.63 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 64 D 7.86 4.38 0.00 2.59 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 65 S 7.71 4.50 0.00 3.97 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 66 D 7.58 4.99 0.00 2.49 2.31 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 67 F 8.71 4.69 0.00 3.08 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 68 K 8.64 5.02 0.00 1.79 2.10 0.00 1.55 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.48 1.05 7.81 69 V 9.04 4.37 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 1.17 0.00 0.00 1.07 0.00 0.00 70 Y 8.22 4.21 0.00 1.79 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.03 3.25 0.00 0.85 1.30 0.00 3.13 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 72 Y 6.41 4.11 0.00 2.54 1.93 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 73 N 6.95 4.49 0.00 2.75 2.43 0.00 0.00 6.90 8.50 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 74 A 8.21 3.68 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 75 V 7.33 3.84 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 0.79 0.00 0.00 0.88 0.00 0.00 76 L 7.78 4.15 0.00 1.61 1.64 0.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.67 4.21 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.24 0.00 2.13 2.02 0.00 3.67 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 2.01 2.05 0.00 79 L 7.80 4.02 0.00 1.88 1.71 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.60 3.68 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 1.43 0.00 0.00 1.10 0.00 0.00 81 T 8.08 4.02 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 1.31 0.00 0.00 82 A 7.75 4.41 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 83 L 7.42 3.86 0.00 1.78 1.78 -0.01 0.42 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 84 L 7.94 4.07 0.00 1.74 1.72 1.03 0.81 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 85 G 7.57 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.48 4.25 1.15 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 87 F 7.41 3.68 0.00 3.05 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 88 D 8.00 4.55 0.00 2.66 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 89 T 8.17 4.50 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 1.21 0.00 0.00 90 R 8.25 4.77 0.00 1.77 1.82 0.00 3.23 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 91 N 8.93 4.49 0.00 2.72 2.89 0.00 0.00 6.92 7.66 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 92 R 7.95 4.28 0.00 2.08 2.18 0.00 3.05 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 93 I 7.85 3.63 1.87 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 1.64 0.89 0.91 0.00 0.00 94 I 7.82 3.93 1.88 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 1.65 1.58 0.91 0.00 0.00 95 E 7.94 4.02 0.00 1.89 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 2.36 2.38 0.00 96 V 7.39 3.97 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 0.74 0.00 0.00 0.93 0.00 0.00 97 E 8.03 4.13 0.00 2.04 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 2.32 2.36 0.00 98 N 8.17 5.06 0.00 2.79 2.81 0.00 0.00 6.25 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 99 Q 8.17 4.36 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 100 A 7.56 3.98 1.05 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 0.00 101 N 9.15 4.47 0.00 2.85 2.97 0.00 0.00 6.85 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.25 0.00 2.08 2.09 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 103 T 7.92 3.49 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 1.21 0.00 0.00 104 T 8.67 3.89 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 1.21 0.00 0.00 105 A 7.98 3.99 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 0.00 106 E 8.28 4.06 0.00 2.07 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 2.31 2.35 0.00 107 T 7.67 4.24 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 1.21 0.00 0.00 108 L 7.57 3.98 0.00 1.96 1.88 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.61 4.68 0.00 2.83 2.61 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 0.00 110 A 7.50 3.92 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 0.00 111 T 7.74 3.89 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 1.31 0.00 0.00 112 R 7.81 3.90 0.00 1.96 2.14 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 113 R 7.61 3.99 0.00 1.88 1.95 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 114 V 7.43 3.78 2.10 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 0.77 0.00 0.00 1.00 0.00 0.00 115 D 7.85 4.54 0.00 2.70 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 0.00 116 D 8.21 4.51 0.00 2.89 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 0.00 117 A 7.68 3.96 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 0.00 118 T 7.54 3.89 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 119 V 7.62 3.63 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 1.04 0.00 0.00 1.01 0.00 0.00 120 A 7.74 3.91 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 0.00 121 I 7.26 3.48 0.56 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.24 -0.08 0.00 0.00 122 R 7.96 4.11 0.00 2.22 2.02 0.00 3.13 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 123 S 8.25 4.27 0.00 4.09 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 0.00 124 A 7.88 3.94 1.29 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 0.00 125 I 7.66 3.73 2.03 0.00 0.00 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 1.56 0.96 1.12 0.00 0.00 126 N 8.08 4.39 0.00 2.90 2.97 0.00 0.00 6.83 6.57 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 0.00 127 N 8.21 4.52 0.00 3.00 2.78 0.00 0.00 6.73 6.70 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 0.00 128 L 7.76 4.25 0.00 1.86 1.99 0.98 1.25 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 0.00 129 I 7.57 4.10 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.45 0.94 0.00 0.00 130 V 7.55 3.84 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 0.78 0.00 0.00 0.94 0.00 0.00 131 E 7.70 4.57 0.00 2.26 1.93 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 2.18 2.30 0.00 132 L 7.36 4.43 0.00 1.99 1.68 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.43 4.37 1.87 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 1.46 1.09 0.90 0.00 0.00 134 R 7.90 4.02 0.00 1.77 1.95 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 135 G 7.31 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.60 3.74 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 0.00 137 G 8.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.83 5.17 0.00 4.01 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 0.00 139 Y 9.28 4.86 0.00 3.36 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 0.00 140 N 9.45 4.84 0.00 2.50 2.52 0.00 0.00 5.63 7.66 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 0.00 141 R 8.07 3.78 0.00 2.07 1.93 0.00 3.18 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 142 S 8.18 4.03 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 0.00 143 S 7.90 4.52 0.00 4.20 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 0.00 144 F 8.72 4.29 0.00 2.80 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 0.00 145 E 7.72 3.49 0.00 2.06 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 2.30 2.39 0.00 146 S 7.75 4.67 0.00 3.86 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 0.00 147 S 7.35 4.76 0.00 4.10 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 0.00 148 S 7.76 4.12 0.00 3.35 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 0.00 149 G 7.46 3.58 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 0.00 0.00 0.00 150 L 7.69 4.25 0.00 1.52 1.48 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.90 4.55 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 0.90 0.00 0.00 0.93 0.00 0.00 152 W 8.78 5.28 0.00 3.49 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 0.00 153 T 6.81 4.57 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 1.15 0.00 0.00 154 S 8.04 3.91 0.00 3.58 3.57 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