NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4046 8.3044 120.3243 54.6116 33.4170 174.6190 2 K 3.9198 8.3725 122.5705 56.0303 32.8108 175.5507 3 K 4.0665 9.4568 127.1618 58.5666 33.3917 175.9651 4 H 4.8622 7.8387 113.1426 54.4903 31.7081 173.8090 5 G 3.8836 8.5410 108.2819 45.2665 0.0000 172.9200 6 I 3.8069 7.9162 118.1493 60.8019 38.4828 175.8996 7 L 4.0484 8.4668 128.5381 57.7852 42.4552 177.6596 8 N 4.4227 8.0628 117.9828 53.2737 40.0034 175.3765 9 S 4.0754 8.6009 123.5171 61.9085 62.8001 176.1178 10 H 4.2182 7.9835 119.4971 58.6338 28.4484 177.6550 11 L 4.0678 8.9359 120.8238 57.6003 41.3385 179.2437 12 A 3.9954 8.2396 120.9352 55.3076 18.0712 179.8297 13 K 3.9228 7.7274 115.2829 59.5898 32.2285 179.4500 14 I 3.9118 7.4231 118.9624 64.3770 37.1046 178.4356 15 L 3.9952 8.2300 119.8410 57.7146 41.1926 179.2083 16 A 4.0423 8.1035 120.1734 55.0904 18.3636 178.5411 17 D 4.6181 7.6382 114.1561 53.5962 41.7170 177.1203 18 L 4.2143 7.4301 121.0509 54.7972 42.3370 176.6058 19 G 4.2012 9.4576 111.3267 43.0375 0.0000 171.6248 20 H 4.2360 8.6147 118.9750 58.2023 29.7978 175.3924 21 T 3.4811 8.8395 116.7315 61.2664 68.5216 171.8970 22 D 4.5799 7.9945 122.6378 54.6310 42.2499 175.4316 23 K 5.2679 8.5887 120.1191 54.6229 35.8910 175.1053 24 I 5.0092 8.4794 115.9053 59.1462 41.5011 174.0932 25 V 4.8922 8.7992 123.3958 61.2915 34.6517 174.0981 26 I 5.0112 8.7827 127.7748 59.6694 39.4737 174.5970 27 A 5.3357 9.2477 128.5260 49.8898 23.2957 175.0864 28 D 4.9541 8.2128 119.1843 52.3845 41.1823 177.2138 29 A 4.2004 8.9533 121.5838 53.9335 18.2362 178.4064 30 G 3.8414 8.2384 103.5511 44.8433 0.0000 174.0836 31 L 4.0025 7.3957 121.5968 54.5405 42.5122 174.8085 32 P 4.4569 0.0000 0.0000 62.3110 32.3241 175.4769 33 V 4.2172 8.0161 120.4411 60.3840 32.7914 173.9762 34 P 4.4156 0.0000 0.0000 62.3527 31.9207 175.5186 35 D 4.4728 8.3430 121.0353 55.9448 41.1720 177.2627 36 G 3.9104 9.0358 111.7395 44.8516 0.0000 172.9382 37 V 4.2597 7.0145 119.7271 60.7178 32.9081 175.4068 38 L 4.0888 8.5899 130.2087 55.2683 43.2250 175.0776 39 K 4.9484 8.6491 127.0087 54.6887 34.5354 174.9091 40 I 4.3345 8.7961 128.6945 59.6909 39.4924 174.2312 41 D 5.0169 8.7104 128.1140 53.1722 41.4911 175.8191 42 L 4.7276 8.7939 126.2167 54.4334 42.5770 177.5899 43 S 4.4311 8.3616 114.9607 58.3866 63.6093 173.4761 44 L 4.5175 8.6953 124.7004 56.1520 43.9068 176.1632 45 K 4.3185 7.5947 114.3840 54.9846 34.6882 172.2787 46 P 3.9331 0.0000 0.0000 64.4987 31.1539 177.1725 47 G 3.9078 9.6788 112.7576 44.8557 0.0000 172.6112 48 L 4.7678 8.2822 122.4650 52.5634 44.7269 174.1985 49 P 4.9373 0.0000 0.0000 62.0653 33.6752 175.2222 50 A 4.7133 8.4582 121.8508 51.1924 20.0977 178.3752 51 F 4.0811 9.6453 121.8643 61.6158 39.3812 177.8385 52 Q 3.1428 7.8949 116.9837 58.7516 28.3322 178.2630 53 D 4.3230 7.8592 119.3127 57.6417 40.9321 178.9339 54 T 3.7992 7.8600 115.8508 66.6651 68.5304 176.6907 55 A 3.9696 7.9980 122.7466 55.0584 18.0604 179.5841 56 A 3.9706 7.8349 118.7413 55.1269 18.8111 179.7834 57 V 3.6883 7.6292 116.7432 66.1285 31.6410 178.2842 58 L 4.0190 7.9349 118.4886 57.8541 41.2731 179.4316 59 A 4.2217 7.9852 119.4855 54.9495 18.2892 178.8838 60 E 4.0710 7.8706 116.8233 58.3247 29.6260 177.0645 61 E 4.5596 8.0465 116.4195 56.1887 30.8286 175.0706 62 M 4.7350 7.8878 115.3868 52.9611 34.3817 174.7300 63 A 4.2873 8.5169 122.8922 51.7406 19.7642 176.2263 64 V 4.7141 8.4762 123.1189 61.7419 32.6897 175.1763 65 E 4.5194 9.0969 125.7956 57.2085 31.6259 175.6332 66 K 4.8370 7.6424 120.0691 55.0636 35.9937 174.4034 67 V 4.6690 8.8348 125.8376 61.0266 34.8777 174.1227 68 I 5.0027 8.7332 127.5019 59.5768 40.5243 174.5058 69 A 4.9465 8.7544 126.8425 50.1541 23.6188 174.1405 70 A 4.9660 7.9732 120.0532 50.9410 20.1037 178.5411 71 A 3.9249 9.3518 125.2621 55.5181 18.4501 179.6884 72 E 3.7114 7.8734 115.7003 58.5366 29.2166 179.0348 73 I 3.7029 7.7481 119.8701 63.7187 37.7925 177.8071 74 K 3.8826 7.5985 118.0270 59.2704 31.9242 178.9313 75 A 4.0660 7.6444 119.2074 55.1734 18.7311 179.1962 76 S 4.4650 7.8044 110.8725 59.3170 64.6299 174.2426 77 N 5.0327 8.4366 120.7763 50.8942 39.1721 174.6960 78 Q 3.9950 8.2981 122.1878 59.4364 29.3040 178.8936 79 E 3.9727 8.2123 119.2468 59.7095 29.7272 178.6124 80 N 4.5488 8.1389 115.1591 56.1233 38.4511 177.3052 81 A 4.1571 8.2914 122.4368 55.2721 18.4927 179.8965 82 K 4.0658 8.4595 117.1161 59.3160 32.1367 179.2958 83 F 4.0927 8.3903 121.1344 61.3273 39.2362 177.2012 84 L 4.2777 8.3947 118.4996 57.9875 41.2900 179.1926 85 E 4.0835 7.8918 116.9039 59.6386 29.5165 179.0935 86 N 4.3997 7.9591 114.9027 56.1423 38.7213 176.9290 87 L 3.6527 7.6853 120.5279 57.2551 42.8056 179.0048 88 F 5.5479 8.4398 119.6223 56.0533 38.9943 178.0526 89 S 4.2711 8.0259 114.7252 61.4034 63.2175 175.4403 90 E 4.1569 8.1012 118.7416 57.9942 29.9783 176.4952 91 Q 4.5179 7.6893 117.8853 54.5673 31.2795 174.4565 92 E 4.5373 8.2555 121.6386 55.9324 30.9527 175.1037 93 I 4.8532 8.3828 127.2358 59.4360 39.7388 174.3185 94 E 4.6780 8.9760 128.3015 54.4639 32.3483 173.8911 95 Y 5.1881 8.6767 123.6985 56.3623 40.2444 174.8538 96 L 5.1212 8.7481 123.0644 52.3516 46.4661 176.3555 97 S 4.5509 8.6888 114.5434 58.2342 63.8172 174.9770 98 H 4.2482 9.1235 121.0862 59.4954 29.0457 177.6911 99 E 3.9691 8.2038 120.0371 59.5924 29.5233 178.9987 100 E 4.0137 8.1813 118.2452 59.0575 29.2273 179.0741 101 F 4.0368 8.3332 120.4241 61.3967 39.8930 177.0456 102 K 4.0627 8.1867 117.9688 59.4148 31.9393 179.2970 103 L 3.9643 7.6241 118.9043 57.7474 41.6103 179.3570 104 L 3.9249 7.7900 120.3068 58.0192 42.1037 178.8243 105 T 3.8678 7.4333 108.8416 63.7811 68.3448 176.4594 106 K 4.0295 7.6826 120.8130 58.8921 32.0998 177.7363 107 D 4.6181 7.6158 116.3653 53.2922 41.4528 176.6174 108 A 4.3362 6.9545 122.8802 52.0177 18.9773 178.1541 109 K 4.2959 8.9385 120.4725 58.8604 32.8549 177.0466 110 A 4.6552 7.4357 118.8920 51.1248 22.6987 175.1882 111 V 4.6780 8.5107 119.4427 61.2180 34.5901 174.4428 112 I 4.7311 9.2241 130.2714 60.0094 38.8101 174.6900 113 R 4.7556 9.1639 129.5120 55.5666 31.4073 175.9162 114 T 4.8312 8.5934 117.1133 60.0247 71.6496 174.3614 115 G 4.1340 8.8135 106.5405 46.1996 0.0000 173.2575 116 E 4.4349 8.3586 123.2084 55.8499 30.5761 177.8210 117 F 4.9587 8.8069 128.0693 57.3043 39.7528 175.4786 118 T 4.6899 7.4786 108.5723 58.7187 71.8658 171.9408 119 P 3.8498 0.0000 0.0000 64.7705 31.7180 175.3992 120 Y 3.5102 7.6536 117.5457 58.9205 35.8581 171.9882 121 A 3.8431 7.1527 120.9479 50.7491 17.0037 176.9322 122 N 5.8365 7.0298 117.7572 51.4988 43.7006 174.5705 123 C 5.1952 9.3339 114.2759 57.7596 33.7746 172.4821 124 I 4.9498 9.1759 121.4314 59.6692 39.5602 174.5494 125 L 4.6007 8.7852 127.5398 53.1531 43.7408 175.2039 126 Q 4.7446 8.7212 126.2045 54.0193 30.6335 174.6065 127 A 4.3672 9.0627 129.8091 53.0649 19.5194 177.0573 128 G 4.4647 9.0483 111.1890 44.6302 0.0000 173.1446 129 V 4.4064 7.9187 118.0580 59.7562 33.9043 175.3940 130 L 4.3907 8.1968 120.3797 55.1944 41.9675 177.0530 131 F 4.4675 6.9629 119.5128 57.2181 37.5315 173.9952 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 M 8.30 4.40 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 8.37 3.92 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.51 7.81 3 K 9.46 4.07 0.00 1.47 1.60 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 4 H 7.84 4.86 0.00 3.12 3.18 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.54 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 6 I 7.92 3.81 1.89 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 1.31 0.87 0.97 0.00 0.00 7 L 8.47 4.05 0.00 1.63 1.68 0.92 0.97 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 8 N 8.06 4.42 0.00 2.80 2.70 0.00 0.00 6.96 7.63 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 9 S 8.60 4.08 0.00 4.03 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 0.00 10 H 7.98 4.22 0.00 3.35 3.38 0.00 5.62 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 11 L 8.94 4.07 0.00 1.79 1.73 0.94 0.81 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 12 A 8.24 4.00 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.73 3.92 0.00 1.97 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.69 7.81 14 I 7.42 3.91 2.02 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 1.53 1.18 0.92 0.00 0.00 15 L 8.23 4.00 0.00 1.82 1.73 0.94 1.07 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 16 A 8.10 4.04 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 17 D 7.64 4.62 0.00 2.61 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 18 L 7.43 4.21 0.00 1.74 1.62 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.46 4.20 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 0.00 20 H 8.61 4.24 0.00 2.99 3.21 0.00 5.78 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 21 T 8.84 3.48 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 0.99 0.00 0.00 22 D 7.99 4.58 0.00 2.73 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 23 K 8.59 5.27 0.00 1.61 1.60 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.51 7.81 24 I 8.48 5.01 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 1.11 0.75 0.91 0.00 0.00 25 V 8.80 4.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.86 0.00 0.00 26 I 8.78 5.01 2.03 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 0.88 0.90 0.00 0.00 27 A 9.25 5.34 1.28 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 0.00 0.00 0.00 28 D 8.21 4.95 0.00 2.90 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 29 A 8.95 4.20 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 30 G 8.24 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 31 L 7.40 4.00 0.00 1.71 1.64 1.09 1.11 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 32 P 0.00 4.46 0.00 2.22 2.02 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 33 V 8.02 4.22 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 0.87 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.42 0.00 2.19 1.93 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 35 D 8.34 4.47 0.00 2.65 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 36 G 9.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.01 4.26 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 0.74 0.00 0.00 0.96 0.00 0.00 38 L 8.59 4.09 0.00 1.81 1.68 0.91 0.58 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 39 K 8.65 4.95 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.44 7.81 40 I 8.80 4.33 1.89 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 1.09 0.52 0.94 0.00 0.00 41 D 8.71 5.02 0.00 2.69 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 42 L 8.79 4.73 0.00 1.58 1.70 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.36 4.43 0.00 4.06 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 44 L 8.70 4.52 0.00 1.52 1.79 0.93 0.61 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 45 K 7.59 4.32 0.00 1.85 1.81 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 1.34 7.81 46 P 0.00 3.93 0.00 1.60 0.72 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.00 47 G 9.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.28 4.77 0.00 1.62 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.94 0.00 2.16 2.16 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 50 A 8.46 4.71 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 51 F 9.65 4.08 0.00 3.11 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 52 Q 7.89 3.14 0.00 1.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 1.16 2.24 0.00 53 D 7.86 4.32 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.86 3.80 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 1.20 0.00 0.00 55 A 8.00 3.97 1.10 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 0.00 0.00 56 A 7.83 3.97 1.49 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 0.00 0.00 0.00 57 V 7.63 3.69 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 1.03 0.00 0.00 0.96 0.00 0.00 58 L 7.93 4.02 0.00 1.92 1.77 0.95 1.07 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 59 A 7.99 4.22 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 60 E 7.87 4.07 0.00 2.08 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 2.32 2.39 0.00 61 E 8.05 4.56 0.00 2.04 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 2.51 2.23 0.00 62 M 7.89 4.74 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 63 A 8.52 4.29 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 64 V 8.48 4.71 2.20 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 0.70 0.00 0.00 1.04 0.00 0.00 65 E 9.10 4.52 0.00 2.08 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 0.00 2.51 2.22 0.00 66 K 7.64 4.84 0.00 1.77 1.57 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.52 7.81 67 V 8.83 4.67 1.84 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 0.76 0.00 0.00 0.06 0.00 0.00 68 I 8.73 5.00 1.91 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 1.12 0.45 1.01 0.00 0.00 69 A 8.75 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.97 4.97 1.17 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 71 A 9.35 3.92 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 72 E 7.87 3.71 0.00 1.16 1.12 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 1.91 2.10 0.00 73 I 7.75 3.70 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 1.08 0.00 0.00 74 K 7.60 3.88 0.00 1.62 1.73 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.11 7.81 75 A 7.64 4.07 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 76 S 7.80 4.46 0.00 4.04 4.02 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 0.00 0.00 0.00 77 N 8.44 5.03 0.00 2.77 2.69 0.00 0.00 6.99 6.82 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 78 Q 8.30 3.99 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 79 E 8.21 3.97 0.00 2.06 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 2.45 2.47 0.00 80 N 8.14 4.55 0.00 2.86 2.80 0.00 0.00 6.99 7.52 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 81 A 8.29 4.16 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 82 K 8.46 4.07 0.00 2.05 1.93 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.67 7.81 83 F 8.39 4.09 0.00 3.36 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 84 L 8.39 4.28 0.00 2.21 1.98 1.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.89 4.08 0.00 2.15 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 2.68 2.60 0.00 86 N 7.96 4.40 0.00 2.64 2.70 0.00 0.00 7.04 7.27 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 87 L 7.69 3.65 0.00 0.74 1.16 0.51 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.44 5.55 0.00 3.26 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 89 S 8.03 4.27 0.00 3.97 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 90 E 8.10 4.16 0.00 2.01 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 2.31 2.33 0.00 91 Q 7.69 4.52 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 92 E 8.26 4.54 0.00 2.17 1.79 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 2.27 2.29 0.00 93 I 8.38 4.85 1.88 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 1.21 0.82 0.54 0.00 0.00 94 E 8.98 4.68 0.00 1.96 1.69 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 2.20 2.26 0.00 95 Y 8.68 5.19 0.00 2.88 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 96 L 8.75 5.12 0.00 1.71 1.61 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.69 4.55 0.00 4.01 4.02 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 0.00 0.00 0.00 98 H 9.12 4.25 0.00 3.44 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.20 3.97 0.00 2.06 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 2.38 0.00 100 E 8.18 4.01 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 101 F 8.33 4.04 0.00 3.13 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 0.00 102 K 8.19 4.06 0.00 2.00 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 103 L 7.62 3.96 0.00 1.89 1.68 0.96 0.38 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 0.00 104 L 7.79 3.92 0.00 1.79 1.44 0.84 0.69 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 0.00 105 T 7.43 3.87 4.14 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 0.91 0.00 0.00 106 K 7.68 4.03 0.00 1.83 1.88 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 107 D 7.62 4.62 0.00 2.62 2.65 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 0.00 0.00 0.00 108 A 6.95 4.34 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 0.00 109 K 8.94 4.30 0.00 1.60 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.53 7.81 110 A 7.44 4.66 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 0.00 111 V 8.51 4.68 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 1.11 0.00 0.00 0.93 0.00 0.00 112 I 9.22 4.73 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 1.14 0.56 0.94 0.00 0.00 113 R 9.16 4.76 0.00 1.88 1.98 0.00 3.08 0.00 0.00 3.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 114 T 8.59 4.83 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 1.34 0.00 0.00 115 G 8.81 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 0.00 0.00 0.00 116 E 8.36 4.43 0.00 2.29 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 117 F 8.81 4.96 0.00 2.89 3.04 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 0.00 118 T 7.48 4.69 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 1.30 0.00 0.00 119 P 0.00 3.85 0.00 2.15 1.93 0.00 3.81 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 2.03 2.03 0.00 120 Y 7.65 3.51 0.00 2.94 2.83 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 0.00 121 A 7.15 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 7.03 5.84 0.00 2.29 2.89 0.00 0.00 7.04 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 0.00 123 C 9.33 5.20 0.00 3.24 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 0.00 124 I 9.18 4.95 1.86 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.54 0.84 0.00 0.00 125 L 8.79 4.60 0.00 1.55 1.51 0.98 0.35 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 0.00 126 Q 8.72 4.74 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 127 A 9.06 4.37 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 0.00 128 G 9.05 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 0.00 0.00 0.00 0.00 129 V 7.92 4.41 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 0.43 0.00 0.00 -0.03 0.00 0.00 130 L 8.20 4.39 0.00 1.81 1.83 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 131 F 6.96 4.47 0.00 3.10 2.96 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