NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2555 8.3344 116.7702 58.4187 64.9396 173.4265 5 V 3.5222 7.9936 127.7072 62.0587 32.0766 170.2791 6 V 4.1097 9.0174 128.8627 61.7878 33.7669 174.6508 7 K 4.7506 8.1636 124.8702 54.4320 35.3766 177.4052 8 S 4.1793 8.7656 118.4929 61.8987 62.8566 176.4352 9 E 4.3024 8.1063 114.7681 58.0388 29.5933 176.8420 10 D 4.5976 8.0067 119.4743 54.8880 40.8947 177.5241 11 Y 4.0837 7.8080 119.4711 59.9154 37.7252 177.3084 12 A 4.2317 6.9211 119.9179 52.2173 19.0922 176.6891 13 L 4.5986 7.4325 116.1847 52.0599 43.3999 174.9796 14 P 4.3800 0.0000 0.0000 63.0945 31.7839 175.7169 15 S 4.8167 8.1902 114.4567 56.5296 66.3096 172.4642 16 Y 4.4073 8.4028 121.3924 56.7020 39.5783 174.9921 17 V 4.2839 6.7348 118.0610 59.8547 35.6579 174.6639 18 D 4.6277 8.5542 124.1484 53.0434 40.6732 176.1562 19 R 4.5585 7.8775 122.6735 54.0452 34.1219 176.8981 20 R 3.4041 8.6212 121.5999 58.8997 30.1582 177.2026 21 D 4.7470 7.9426 114.0818 53.7043 40.5360 175.6902 22 Y 4.8216 7.9735 120.8839 55.4529 38.6226 173.8293 23 P 4.4113 0.0000 0.0000 64.9253 31.9476 177.0078 24 L 4.6709 6.6748 118.6914 51.7983 41.5446 174.2193 25 P 4.6774 0.0000 0.0000 61.8864 32.2450 176.5936 26 D 4.5791 8.6302 118.3856 56.5062 40.9976 177.0289 27 V 4.5516 7.4354 109.8154 58.7575 35.5605 174.9122 28 A 4.1975 8.3136 124.0680 52.1276 18.9415 177.1758 29 H 3.6247 8.9600 122.8807 58.3273 29.8565 175.7385 30 V 4.1617 8.0286 118.9135 60.7844 32.8498 174.7712 31 K 4.2959 8.5712 126.0372 57.3873 33.9927 176.2919 32 N 4.7976 7.8538 116.2201 51.6436 39.8617 174.0630 33 L 4.7029 8.0906 121.8041 52.3525 44.5682 177.3031 34 S 4.3608 8.4236 117.9377 57.6508 65.2768 175.0044 35 A 3.9868 8.5746 123.6294 55.6684 17.8924 180.0851 36 S 4.1181 7.9971 111.9661 61.6512 63.2480 176.4643 37 Q 3.9810 8.1098 121.7053 58.6587 28.4503 178.9068 38 K 3.9723 8.3064 119.3746 59.4224 32.0679 179.2698 39 A 4.0298 7.9564 120.6778 54.8473 18.2584 179.4102 40 L 3.9071 8.1120 118.9924 58.4295 41.9920 179.4953 41 K 4.1926 7.9422 116.9920 59.2544 32.1491 179.0703 42 E 4.1214 8.2109 119.1211 59.3130 29.4081 179.0216 43 K 3.9037 8.5117 120.1115 59.6456 31.9914 178.2304 44 E 4.2104 8.6004 118.6964 58.9608 29.5541 178.5452 45 K 4.2286 8.1398 117.2061 57.8106 32.3250 176.8419 46 A 4.3797 7.6250 122.2180 50.1630 20.3212 176.6048 47 S 3.9200 8.4389 112.9424 58.8143 62.5307 175.3287 48 W 4.6952 8.3844 126.6212 59.2980 29.1521 178.4184 49 S 4.2939 7.9567 114.1777 61.2027 62.3209 175.5765 50 S 4.4043 7.9126 114.9797 59.8186 63.0041 174.7089 51 L 4.3584 7.4699 121.5253 54.3717 41.9743 177.7819 52 S 4.4922 8.9717 118.3981 57.6186 65.2503 175.6216 53 I 3.6651 8.2265 122.9635 64.9320 36.8478 178.3163 54 D 4.3887 8.1173 118.9289 57.5463 40.5568 178.7030 55 E 4.0511 8.4491 119.2915 59.1803 29.4300 179.5388 56 K 3.9185 8.3644 118.9449 59.4252 32.0572 179.5649 57 V 3.6156 8.1437 118.9265 65.9072 31.4991 177.6711 58 E 3.9385 8.6496 119.5056 59.2777 29.3954 178.6696 59 L 3.9578 8.2420 119.3825 57.9256 41.6590 178.8328 60 Y 4.0869 8.1910 119.3043 60.9845 38.6368 178.4283 61 R 4.4568 8.1620 118.0695 57.8301 30.4238 178.6040 62 L 4.0662 7.6154 119.2723 57.3492 41.5966 179.1136 63 K 3.5657 7.5953 119.3488 57.5649 31.8751 176.6202 64 F 5.1876 7.3175 116.8049 55.3522 41.8370 175.2418 65 K 3.6944 8.5543 125.6858 57.6311 32.5330 176.4328 66 E 5.0074 8.5549 119.4883 54.1541 32.2646 176.9216 67 S 5.3861 8.9358 118.9430 57.4353 65.3544 175.6743 68 F 3.8881 9.0115 119.7693 60.5679 38.4242 177.6042 69 A 4.0508 8.1175 118.5516 55.2921 18.3830 178.9633 70 E 4.1072 8.1620 117.1239 59.9418 29.4202 179.6703 71 M 4.3202 8.2401 115.4701 57.5541 31.3813 177.1983 72 N 4.7689 7.8569 115.8622 51.9083 39.3745 175.2480 73 R 4.1130 7.1555 117.9469 55.9577 30.2020 176.6405 74 S 4.6038 8.3421 115.1898 57.6959 64.5600 172.4888 75 T 4.7533 7.9770 109.8130 60.2912 71.8506 173.2301 76 N 4.6443 8.4731 116.2043 53.2108 39.0541 176.7043 77 E 3.9221 8.1485 121.5434 59.2893 29.4669 178.8905 78 W 4.3094 8.2564 116.1498 59.4517 28.0273 178.2126 79 K 3.1784 6.5282 118.6767 59.3513 31.3308 179.3989 80 T 3.7787 7.5387 115.3012 66.4477 68.3953 176.8293 81 V 3.6059 7.9024 120.1518 66.1071 31.6009 178.3551 82 V 3.8095 8.5890 118.4862 65.9053 31.3590 178.2116 83 G 3.6216 8.4038 105.5230 47.7980 0.0000 175.5989 84 A 4.1518 8.4203 123.2784 54.7537 18.3631 179.5421 85 A 4.1861 8.3956 119.4372 55.7980 18.4890 179.7253 86 M 4.0396 8.3886 117.2653 58.3980 31.9090 178.6799 87 F 3.9462 8.4513 120.9383 61.5353 39.6346 177.3352 88 F 3.7998 8.4773 117.0349 60.1749 38.4511 177.9337 89 I 3.9332 8.0760 119.4960 63.9815 36.9789 178.4088 90 G 3.5671 8.3214 107.1895 47.7314 0.0000 175.2484 91 F 3.8425 7.7799 124.0433 61.3072 39.2450 177.1582 92 T 3.6735 8.0297 114.7611 66.7693 68.2225 176.2012 93 A 3.9720 7.6663 122.4222 55.0957 18.3067 179.6094 94 L 3.8585 7.3752 117.2557 57.9382 41.5720 179.6812 95 L 3.9151 7.3659 118.2903 57.8110 41.4771 179.4827 96 L 4.0633 7.8668 118.8140 57.6421 41.5317 179.5531 97 I 3.6835 8.1530 120.2719 64.0688 37.0172 178.0943 98 W 4.1195 8.2984 129.1034 60.5548 30.4568 177.4973 99 E 3.9228 8.8326 119.5284 59.2695 29.3479 178.6721 100 K 4.0586 8.3490 119.9212 59.7737 32.0014 178.2758 101 H 3.8558 8.0321 117.6925 58.5499 29.8504 175.9352 102 Y 4.2733 7.5230 116.3187 57.6358 38.9627 176.5401 103 V 3.9896 7.3179 118.0651 64.2181 33.0303 175.7019 104 Y 4.5914 6.9631 114.8225 57.5673 38.3528 176.1701 105 G 3.9891 8.4027 113.5944 43.5479 0.0000 171.0446 106 P 4.2338 0.0000 0.0000 62.5541 31.6432 176.3316 107 I 4.0001 7.8387 115.0560 59.0261 38.9632 173.5609 108 P 4.3877 0.0000 0.0000 62.7143 31.7770 177.5556 109 H 4.3434 8.5196 115.9685 57.8764 28.6192 177.1003 110 T 2.5455 7.0446 109.3616 62.8720 68.5404 174.6475 111 F 4.5227 7.5762 119.9840 57.4476 39.5761 176.5074 112 E 4.2451 8.0330 122.0077 55.8946 31.1531 177.1048 113 E 3.9674 8.9659 122.9105 59.7822 29.5263 179.1869 114 E 3.9454 8.1841 118.5424 58.8019 29.8140 177.9435 115 W 4.0173 8.3782 128.0834 60.7860 30.5615 177.8775 116 V 3.6819 8.3598 117.8792 65.9334 31.0122 177.7374 117 A 4.0189 8.2533 120.5818 55.1994 18.2248 179.8228 118 K 3.7956 8.1730 117.1281 59.5295 32.0232 179.4324 119 Q 3.8312 8.2233 120.2639 59.2651 28.8697 178.4725 120 T 3.9554 8.1889 117.0987 66.4699 68.4976 176.3013 121 K 3.5144 7.7502 121.3970 59.6611 32.0505 178.5325 122 R 3.7521 7.9680 118.6567 59.7342 29.8450 178.3395 123 M 4.0298 8.2359 118.5089 58.4033 31.9316 178.7420 124 L 4.1380 8.2245 119.2567 57.9445 41.4824 179.3141 125 D 4.4698 8.4863 118.7302 57.0133 40.8087 177.6874 126 M 4.3103 8.1679 115.0409 54.0482 32.2049 176.0092 127 K 4.0426 7.9450 117.4675 55.8198 30.5939 176.0702 128 V 3.4271 8.3363 117.8256 64.9064 32.5587 174.9487 129 A 3.7061 8.6935 127.6397 52.9767 15.4177 174.9936 130 P 4.6946 0.0000 0.0000 63.4135 32.9296 178.7653 131 I 4.0959 7.8554 119.7006 63.8948 37.5251 176.5092 132 Q 4.5202 7.9550 113.6249 56.9585 33.2878 176.4471 133 G 3.8421 8.3148 105.7166 47.7880 0.0000 173.1175 134 F 4.7675 8.1387 120.9078 59.3870 43.1383 176.3703 135 S 4.2497 9.5410 117.5544 61.3164 63.2612 176.7849 136 A 4.1689 8.2574 122.0792 54.5004 18.3109 177.9256 137 K 4.4703 8.4932 114.6099 56.0455 32.5920 175.6308 138 W 4.6028 8.0781 129.8234 55.3338 32.2380 174.9123 139 D 4.4691 7.5684 125.6788 52.9585 40.2183 176.4983 140 Y 4.2672 8.4794 124.8207 60.0360 38.5440 177.2764 141 D 4.4921 8.2792 119.3529 57.1864 41.1962 177.7519 142 K 4.0024 8.5005 115.5764 56.2352 32.5207 176.2914 143 N 4.0104 7.7048 116.8599 53.5741 37.7327 172.2767 144 E 3.4581 5.9000 112.8238 53.9540 33.6198 174.6446 145 W 4.4230 7.8144 119.8913 56.4675 29.6149 176.7378 146 K 3.9385 8.8404 124.2690 56.6617 32.3509 177.3724 147 K 4.1457 8.4846 121.9570 56.7860 32.1453 176.9167 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 8.33 4.26 0.00 3.82 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 5 V 7.99 3.52 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 0.73 0.00 0.00 0.92 0.00 0.00 6 V 9.02 4.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.03 0.00 0.00 7 K 8.16 4.75 0.00 1.82 1.83 0.00 1.92 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.77 4.18 0.00 3.93 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 9 E 8.11 4.30 0.00 2.09 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 0.00 2.28 2.28 0.00 10 D 8.01 4.60 0.00 2.99 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 11 Y 7.81 4.08 0.00 3.04 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 12 A 6.92 4.23 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.43 4.60 0.00 1.76 1.57 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.38 0.00 2.06 2.03 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 15 S 8.19 4.82 0.00 3.97 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 16 Y 8.40 4.41 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 6.73 4.28 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 0.69 0.00 0.00 0.88 0.00 0.00 18 D 8.55 4.63 0.00 2.70 2.60 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 19 R 7.88 4.56 0.00 1.83 1.92 0.00 3.09 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 20 R 8.62 3.40 0.00 1.78 2.06 0.00 3.17 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 1.58 1.47 0.00 21 D 7.94 4.75 0.00 2.83 2.81 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 22 Y 7.97 4.82 0.00 2.97 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 23 P 0.00 4.41 0.00 2.25 2.41 0.00 3.75 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 1.95 2.04 0.00 24 L 6.67 4.67 0.00 1.51 1.64 0.94 1.20 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 25 P 0.00 4.68 0.00 1.92 1.83 0.00 3.93 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 1.71 2.03 0.00 26 D 8.63 4.58 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.44 4.55 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 0.76 0.00 0.00 1.09 0.00 0.00 28 A 8.31 4.20 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 29 H 8.96 3.62 0.00 2.01 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.03 4.16 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 0.81 0.00 0.00 0.62 0.00 0.00 31 K 8.57 4.30 0.00 1.85 1.86 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.40 7.81 32 N 7.85 4.80 0.00 2.69 2.75 0.00 0.00 6.70 7.85 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 33 L 8.09 4.70 0.00 1.57 1.52 0.90 0.86 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 34 S 8.42 4.36 0.00 4.03 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 35 A 8.57 3.99 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 36 S 8.00 4.12 0.00 4.06 4.13 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 37 Q 8.11 3.98 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 38 K 8.31 3.97 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 39 A 7.96 4.03 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 40 L 8.11 3.91 0.00 1.78 1.89 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.94 4.19 0.00 1.94 1.87 0.00 1.76 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 1.68 1.61 7.81 42 E 8.21 4.12 0.00 2.16 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 2.46 2.47 0.00 43 K 8.51 3.90 0.00 1.92 2.01 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.50 7.81 44 E 8.60 4.21 0.00 2.13 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 0.00 2.63 2.37 0.00 45 K 8.14 4.23 0.00 1.80 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.33 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.59 7.81 46 A 7.62 4.38 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 47 S 8.44 3.92 0.00 3.79 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 48 W 8.38 4.70 0.00 3.54 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.96 4.29 0.00 3.92 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 50 S 7.91 4.40 0.00 4.10 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 51 L 7.47 4.36 0.00 1.89 1.65 1.01 1.15 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 52 S 8.97 4.49 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 53 I 8.23 3.67 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 0.94 0.90 0.00 0.00 54 D 8.12 4.39 0.00 2.72 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 55 E 8.45 4.05 0.00 2.25 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 2.34 2.36 0.00 56 K 8.36 3.92 0.00 1.92 1.82 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.60 7.81 57 V 8.14 3.62 2.22 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 1.10 0.00 0.00 0.90 0.00 0.00 58 E 8.65 3.94 0.00 2.14 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 2.31 2.36 0.00 59 L 8.24 3.96 0.00 1.87 1.65 0.85 0.78 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 60 Y 8.19 4.09 0.00 3.14 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 61 R 8.16 4.46 0.00 1.88 2.05 0.00 3.47 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.77 0.00 62 L 7.62 4.07 0.00 1.76 1.60 0.88 0.81 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 63 K 7.60 3.57 0.00 1.40 1.10 0.00 1.05 0.00 0.00 1.26 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.47 0.21 7.81 64 F 7.32 5.19 0.00 2.48 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.55 3.69 0.00 0.93 1.90 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.24 7.81 66 E 8.55 5.01 0.00 2.14 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 2.28 2.25 0.00 67 S 8.94 5.39 0.00 4.11 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 68 F 9.01 3.89 0.00 3.09 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 69 A 8.12 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.16 4.11 0.00 2.25 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 2.36 2.36 0.00 71 M 8.24 4.32 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 72 N 7.86 4.77 0.00 2.79 2.88 0.00 0.00 7.02 7.17 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 73 R 7.16 4.11 0.00 1.90 2.10 0.00 3.07 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 74 S 8.34 4.60 0.00 4.05 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 75 T 7.98 4.75 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 76 N 8.47 4.64 0.00 2.70 2.69 0.00 0.00 6.41 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 77 E 8.15 3.92 0.00 2.10 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 2.35 2.35 0.00 78 W 8.26 4.31 0.00 3.64 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 6.53 3.18 0.00 1.43 1.41 0.00 1.26 0.00 0.00 1.24 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.54 3.78 4.34 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 1.20 0.00 0.00 81 V 7.90 3.61 2.30 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 1.07 0.00 0.00 0.98 0.00 0.00 82 V 8.59 3.81 2.36 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 1.11 0.00 0.00 1.18 0.00 0.00 83 G 8.40 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.42 4.15 1.59 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 0.00 0.00 85 A 8.40 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.39 4.04 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.61 0.00 87 F 8.45 3.95 0.00 3.17 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 88 F 8.48 3.80 0.00 3.30 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.08 3.93 2.09 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 1.51 0.66 0.93 0.00 0.00 90 G 8.32 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 0.00 0.00 0.00 91 F 7.78 3.84 0.00 2.52 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 92 T 8.03 3.67 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 A 7.67 3.97 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 94 L 7.38 3.86 0.00 1.37 1.55 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.37 3.92 0.00 1.67 1.61 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.87 4.06 0.00 1.88 1.73 0.92 0.82 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 97 I 8.15 3.68 2.08 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 1.40 0.87 0.90 0.00 0.00 98 W 8.30 4.12 0.00 3.52 3.41 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 99 E 8.83 3.92 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.06 0.00 100 K 8.35 4.06 0.00 2.04 2.00 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.47 7.81 101 H 8.03 3.86 0.00 2.93 2.80 0.00 5.97 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 0.00 102 Y 7.52 4.27 0.00 1.53 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 0.00 0.00 0.00 0.00 103 V 7.32 3.99 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 0.58 0.00 0.00 0.81 0.00 0.00 104 Y 6.96 4.59 0.00 3.18 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 0.00 105 G 8.40 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 0.00 106 P 0.00 4.23 0.00 2.15 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 107 I 7.84 4.00 1.47 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.58 0.00 0.00 108 P 0.00 4.39 0.00 2.32 1.94 0.00 3.66 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 2.19 2.07 0.00 109 H 8.52 4.34 0.00 3.39 3.46 0.00 5.65 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 0.00 110 T 7.04 2.55 3.50 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 0.00 0.00 111 F 7.58 4.52 0.00 2.94 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 0.00 112 E 8.03 4.25 0.00 2.28 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 2.39 2.41 0.00 113 E 8.97 3.97 0.00 2.09 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 2.44 2.45 0.00 114 E 8.18 3.95 0.00 2.13 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 2.38 2.37 0.00 115 W 8.38 4.02 0.00 3.60 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 0.00 116 V 8.36 3.68 2.30 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 1.13 0.00 0.00 1.12 0.00 0.00 117 A 8.25 4.02 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 0.00 118 K 8.17 3.80 0.00 1.65 1.54 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.42 7.81 119 Q 8.22 3.83 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 120 T 8.19 3.96 4.46 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 1.51 0.00 0.00 121 K 7.75 3.51 0.00 1.68 1.79 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.22 7.81 122 R 7.97 3.75 0.00 1.81 1.98 0.00 3.07 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 123 M 8.24 4.03 0.00 1.92 2.29 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 124 L 8.22 4.14 0.00 1.51 1.24 -0.66 0.72 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 0.00 125 D 8.49 4.47 0.00 2.77 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 0.00 126 M 8.17 4.31 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 127 K 7.94 4.04 0.00 1.93 1.93 0.00 1.52 0.00 0.00 1.17 0.00 0.00 2.51 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.54 1.25 7.81 128 V 8.34 3.43 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 129 A 8.69 3.71 1.50 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 0.00 0.00 130 P 0.00 4.69 0.00 2.24 2.36 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 131 I 7.86 4.10 1.91 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 1.44 0.45 0.94 0.00 0.00 132 Q 7.95 4.52 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 133 G 8.31 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.14 4.77 0.00 3.13 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 0.00 135 S 9.54 4.25 0.00 4.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.26 4.17 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 0.00 137 K 8.49 4.47 0.00 2.07 1.95 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.44 7.81 138 W 8.08 4.60 0.00 2.75 2.64 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 0.00 139 D 7.57 4.47 0.00 2.35 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 0.00 0.00 0.00 0.00 140 Y 8.48 4.27 0.00 3.07 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 0.00 141 D 8.28 4.49 0.00 2.80 2.69 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 0.00 142 K 8.50 4.00 0.00 1.47 1.68 0.00 1.93 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 143 N 7.70 4.01 0.00 2.83 2.77 0.00 0.00 6.92 7.19 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 0.00 144 E 5.90 3.46 0.00 1.70 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 145 W 7.81 4.42 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.84 3.94 0.00 1.73 1.75 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.38 7.81 147 K 8.48 4.15 0.00 1.73 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81