NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.3943 8.3349 116.7844 58.6823 65.0806 175.0222 20 Q 3.8301 8.0780 118.1857 57.7300 29.0887 175.3034 21 D 4.4374 8.1526 118.2355 54.1195 42.8686 176.1294 22 I 3.6305 8.3723 127.6455 64.2951 38.1159 177.2200 23 Y 3.8583 8.1858 117.6275 60.8718 37.6923 178.3038 24 L 4.0274 8.0326 121.0497 58.1191 42.2588 179.0708 25 R 3.8580 7.8119 115.7673 59.2245 29.2858 178.8501 26 L 3.9649 8.1718 120.0032 57.4302 41.6425 179.1933 27 L 3.9620 7.9987 120.2775 58.3116 42.0319 179.4415 28 V 4.2861 8.0267 112.4578 64.4027 31.4449 178.4582 29 K 4.1084 8.2002 119.5504 59.4947 32.0606 178.8788 30 L 4.0700 8.2812 119.6236 58.0120 41.5055 178.9836 31 Y 4.0347 8.4794 117.1022 61.1282 37.8114 178.8555 32 R 3.9202 8.1483 119.5415 59.3546 30.2253 178.3773 33 F 3.7831 8.2677 120.5324 61.1378 39.1922 177.0962 34 L 4.0641 7.9652 117.3367 57.8798 41.5297 179.0623 35 A 4.0699 7.7830 119.4666 55.0197 18.3150 179.6139 36 R 3.9451 7.9903 116.2282 58.1247 31.5153 177.6277 37 R 4.2998 7.2242 117.8144 54.1320 30.0346 175.0752 *39 N 4.5286 7.7806 121.0248 52.2478 38.4975 175.9553 40 S 4.5965 7.5100 111.3101 56.7895 65.7759 175.1761 41 T 4.0632 8.6360 120.7760 64.5826 67.1274 176.2085 42 F 4.3432 8.1759 116.4987 59.8811 38.0315 177.0425 43 N 4.0806 6.7935 116.7242 55.9562 38.3443 177.1660 44 Q 3.9924 7.8416 118.4712 59.2153 28.8175 178.5405 45 V 3.5248 7.7458 120.2009 65.7665 31.6091 178.1965 46 V 3.5515 8.5447 119.0177 65.7692 31.4473 177.7132 47 L 3.2926 7.9162 120.5662 57.7779 41.6667 178.8791 48 K 3.8534 7.7612 118.6500 59.4244 32.5042 178.4336 49 R 4.0208 7.7589 118.7454 59.4240 29.7752 178.5466 50 L 3.9708 7.7104 117.8523 57.7110 41.6037 179.1540 51 F 3.8555 8.1146 116.7368 59.6428 39.0611 176.0152 52 M 4.2181 7.0597 116.3380 55.1497 32.5885 176.3141 53 S 4.3392 8.4324 116.0823 58.7056 63.9645 176.0894 54 R 3.9292 8.5607 121.0228 59.6941 30.1476 179.2627 55 T 3.8354 7.9668 111.3015 65.0729 67.5089 174.5180 56 N 4.4381 7.9018 118.6013 56.2226 39.1861 175.6702 57 R 3.9533 7.3757 115.7583 56.2236 30.7904 174.2637 58 P 4.6195 0.0000 0.0000 61.7736 32.5963 173.2686 59 P 5.2630 0.0000 0.0000 61.4514 33.2199 174.9475 60 L 4.9281 8.6249 122.2698 53.1169 46.3453 176.5812 61 S 5.5064 8.4933 116.8773 56.4446 64.9536 175.1257 62 L 4.0977 8.3405 120.7688 57.6364 41.1054 179.6216 63 S 4.0785 7.6814 112.0582 61.8060 62.0572 176.7063 64 R 3.9669 7.8971 118.4276 59.3108 29.8851 178.5027 65 M 4.2279 7.3572 116.7146 58.2913 32.0734 178.5396 66 I 4.0152 7.5794 111.8076 62.9124 38.6911 177.2640 67 R 4.4533 7.5849 123.1803 52.9114 28.9560 173.1082 68 K 4.4627 7.6692 123.3720 54.1378 33.7479 175.7892 69 M 4.2210 8.7782 126.5349 58.7067 32.2915 178.2013 70 K 4.0686 8.1338 116.2094 58.9244 32.1701 177.5031 71 L 4.6481 7.4567 117.4018 52.2311 43.6732 175.6881 72 P 4.2318 0.0000 0.0000 63.8428 31.3115 177.2668 73 G 4.0133 7.4826 102.3494 46.3931 0.0000 172.7628 74 R 4.6567 7.6317 115.7410 53.8286 32.6065 174.1258 75 E 4.3204 8.4025 114.1651 57.0769 30.1281 176.4039 76 N 4.2993 8.9283 115.5485 53.9823 37.4372 173.7098 77 K 4.6326 7.5726 113.9192 54.9867 35.7163 175.8254 78 T 4.3324 8.4284 120.8181 61.3829 68.7319 173.6019 79 A 4.6350 8.8311 131.0598 51.7977 20.0586 176.2041 80 V 4.7825 9.3247 122.8369 61.0349 34.6667 174.3462 81 V 4.8676 9.2876 128.7173 60.8582 33.4429 176.3773 82 V 4.0534 8.7755 126.0979 62.7629 32.6006 175.7396 83 G 4.2582 7.8708 112.0388 46.2594 0.0000 173.6363 84 T 5.2274 9.5275 115.6123 59.6490 72.0295 172.6887 85 V 4.9057 8.6129 123.4639 61.5528 33.8842 174.6692 86 T 5.0659 9.1718 118.2675 59.6746 71.4152 175.0332 87 D 4.3470 8.7736 121.7598 55.7150 40.2723 176.7716 88 D 4.1983 7.9419 120.4153 55.7337 41.1857 177.2070 89 V 3.8139 8.4126 121.9349 62.4717 31.4914 170.3704 90 R 4.7627 8.1393 119.2975 54.3551 33.3068 176.6025 91 I 4.2481 7.8455 114.8013 59.4572 36.4620 175.1012 92 L 4.0085 7.9615 129.6956 58.5899 42.6692 177.0877 93 E 3.9785 8.1007 119.4433 56.0160 29.8519 176.2132 94 V 4.1638 7.7256 120.0578 60.7593 31.9335 170.3246 95 P 4.2394 0.0000 0.0000 62.8885 31.6517 176.1955 96 K 4.8749 6.9765 130.2263 56.1058 34.1114 172.4500 97 L 4.7826 7.8517 129.5103 53.2078 44.9501 174.8142 98 K 5.1670 8.6576 125.9706 54.8406 34.5465 175.5698 99 V 4.8191 8.4273 124.3696 60.0952 34.1238 174.2063 100 C 5.7417 9.6649 122.4617 57.3702 30.2115 172.8405 101 A 5.2019 8.3495 123.2106 50.7945 22.2452 176.8858 102 L 4.1713 8.5612 119.4565 57.9457 42.1377 177.9097 103 R 4.7345 7.7543 116.3498 55.3308 33.6643 173.9675 104 V 4.9192 8.0742 114.9395 59.2940 35.6172 175.6352 105 S 4.4029 8.8180 118.3636 58.0371 63.0197 175.3528 106 S 4.1202 8.7719 118.9768 61.6623 62.7171 176.6486 107 R 3.9144 7.9532 121.7446 58.8612 29.9247 178.0977 108 A 4.0202 7.8847 120.4288 55.1458 18.5298 179.6148 109 R 3.8781 8.0357 114.7077 59.4046 29.3318 179.0325 110 S 4.0584 7.7359 112.6112 61.2853 62.2914 176.4118 111 R 3.9526 8.0846 120.7071 59.1112 29.7855 179.1142 112 I 3.6994 7.7680 119.6165 64.4671 36.9474 178.5093 113 L 3.9951 7.5661 118.0507 57.6230 41.5102 179.5151 114 K 4.0978 7.6391 116.9507 59.4092 32.1252 179.0253 115 A 4.2544 7.7661 119.7036 52.5737 18.6133 177.6636 116 G 3.8590 7.9944 104.0672 45.9504 0.0000 172.9561 117 G 4.1862 8.3475 106.1532 45.2354 0.0000 171.7912 118 K 4.5228 8.0271 119.6286 55.5785 36.4990 175.4350 119 I 4.5553 8.1921 122.7464 59.3275 39.0117 174.2662 120 L 4.8464 8.6908 131.1767 53.4192 45.6667 175.8290 121 T 4.5502 8.3120 118.7433 61.1216 68.7035 175.3332 122 F 3.7401 8.4773 126.1857 60.9170 39.3106 177.3350 123 D 4.4073 8.1964 118.5005 57.5595 40.7393 178.5611 124 Q 3.9818 7.9713 117.9825 58.7883 28.8144 178.2791 125 L 3.8392 7.7119 121.1143 58.0046 41.4925 178.8666 126 A 4.0799 7.8086 120.6917 54.9799 18.0679 179.4295 127 L 3.9093 7.4188 117.3435 58.3743 42.3103 178.8159 128 E 4.2948 8.4862 117.8030 57.9574 30.7626 177.6478 129 S 4.6651 8.4394 115.3368 54.8758 62.8483 172.2987 130 P 4.5152 0.0000 0.0000 65.6991 31.4349 178.9725 131 K 4.0612 8.1815 117.1699 57.5969 32.8347 176.6199 132 G 4.3497 8.1611 107.2389 47.0662 0.0000 173.0787 133 R 4.5334 7.9011 117.2128 55.0476 33.0355 174.3073 134 G 3.8432 8.5581 107.0271 47.1331 0.0000 173.1403 135 T 5.0263 7.7254 107.4611 59.2487 72.3594 173.5252 136 V 4.4199 8.5968 122.8337 59.8852 33.9490 174.8493 137 L 4.8069 8.5868 125.3178 54.3964 42.6692 176.3026 138 L 4.9709 8.7673 122.1700 53.0032 45.3351 176.9502 139 S 4.1612 8.5020 116.6991 58.7068 62.9593 173.7182 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 19 S 8.33 4.39 0.00 3.85 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 20 Q 8.08 3.83 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 21 D 8.15 4.44 0.00 2.74 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 22 I 8.37 3.63 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.29 0.37 0.00 0.00 23 Y 8.19 3.86 0.00 3.21 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 24 L 8.03 4.03 0.00 1.78 1.84 0.91 0.79 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 25 R 7.81 3.86 0.00 2.08 2.11 0.00 2.78 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 26 L 8.17 3.96 0.00 1.81 1.75 0.79 0.72 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 27 L 8.00 3.96 0.00 1.86 1.94 0.67 1.20 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 28 V 8.03 4.29 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 0.67 0.00 0.00 1.03 0.00 0.00 29 K 8.20 4.11 0.00 1.92 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.59 7.81 30 L 8.28 4.07 0.00 1.87 1.65 0.99 1.09 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 31 Y 8.48 4.03 0.00 3.18 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 32 R 8.15 3.92 0.00 2.16 2.12 0.00 3.13 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 33 F 8.27 3.78 0.00 3.22 3.10 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 34 L 7.97 4.06 0.00 1.69 1.73 0.98 0.89 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 35 A 7.78 4.07 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 36 R 7.99 3.95 0.00 1.33 1.64 0.00 3.16 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 37 R 7.22 4.30 0.00 1.57 1.77 0.00 3.31 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 *39 N 7.78 4.53 0.00 2.91 2.91 0.00 0.00 6.12 7.64 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 40 S 7.51 4.60 0.00 3.86 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 41 T 8.64 4.06 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 1.32 0.00 0.00 42 F 8.18 4.34 0.00 3.41 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 43 N 6.79 4.08 0.00 2.42 2.89 0.00 0.00 6.88 7.74 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 44 Q 7.84 3.99 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 45 V 7.75 3.52 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 1.01 0.00 0.00 0.97 0.00 0.00 46 V 8.54 3.55 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 0.64 0.00 0.00 1.30 0.00 0.00 47 L 7.92 3.29 0.00 1.62 1.75 1.04 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.76 3.85 0.00 1.68 1.93 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.46 7.81 49 R 7.76 4.02 0.00 1.97 1.98 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 50 L 7.71 3.97 0.00 1.68 1.57 0.60 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.11 3.86 0.00 3.12 3.20 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 52 M 7.06 4.22 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.88 0.00 53 S 8.43 4.34 0.00 3.88 3.79 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 54 R 8.56 3.93 0.00 1.91 1.97 0.00 3.17 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 55 T 7.97 3.84 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 56 N 7.90 4.44 0.00 2.69 2.91 0.00 0.00 7.26 8.79 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 57 R 7.38 3.95 0.00 1.98 1.87 0.00 3.19 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 58 P 0.00 4.62 0.00 2.09 1.98 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 59 P 0.00 5.26 0.00 2.07 2.04 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 60 L 8.62 4.93 0.00 1.56 1.54 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.49 5.51 0.00 4.14 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 62 L 8.34 4.10 0.00 2.00 1.76 0.92 0.90 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 63 S 7.68 4.08 0.00 3.93 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 64 R 7.90 3.97 0.00 1.94 1.98 0.00 3.44 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 65 M 7.36 4.23 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 66 I 7.58 4.02 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 1.58 0.52 0.91 0.00 0.00 67 R 7.58 4.45 0.00 1.84 1.90 0.00 3.23 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 68 K 7.67 4.46 0.00 1.71 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.49 7.81 69 M 8.78 4.22 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 70 K 8.13 4.07 0.00 1.75 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 71 L 7.46 4.65 0.00 1.66 1.57 0.91 1.08 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 72 P 0.00 4.23 0.00 2.03 2.11 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 73 G 7.48 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 74 R 7.63 4.66 0.00 1.86 1.90 0.00 3.04 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 75 E 8.40 4.32 0.00 2.16 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 2.35 2.25 0.00 76 N 8.93 4.30 0.00 2.86 2.93 0.00 0.00 6.77 6.68 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 77 K 7.57 4.63 0.00 1.83 1.64 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 78 T 8.43 4.33 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 1.11 0.00 0.00 79 A 8.83 4.63 1.25 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 0.00 0.00 80 V 9.32 4.78 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.89 0.00 0.00 81 V 9.29 4.87 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 0.98 0.00 0.00 0.97 0.00 0.00 82 V 8.78 4.05 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 0.87 0.00 0.00 83 G 7.87 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 0.00 0.00 0.00 0.00 84 T 9.53 5.23 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 85 V 8.61 4.91 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 1.02 0.00 0.00 0.96 0.00 0.00 86 T 9.17 5.07 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 1.22 0.00 0.00 87 D 8.77 4.35 0.00 2.81 2.91 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 88 D 7.94 4.20 0.00 2.73 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 89 V 8.41 3.81 2.18 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 0.75 0.00 0.00 0.93 0.00 0.00 90 R 8.14 4.76 0.00 1.79 1.77 0.00 3.24 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 91 I 7.85 4.25 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 1.30 0.86 0.91 0.00 0.00 92 L 7.96 4.01 0.00 1.63 1.73 0.92 1.00 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 93 E 8.10 3.98 0.00 1.97 1.85 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 2.29 2.29 0.00 94 V 7.73 4.16 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 0.80 0.00 0.00 0.93 0.00 0.00 95 P 0.00 4.24 0.00 2.10 2.18 0.00 3.80 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 2.02 2.06 0.00 96 K 6.98 4.87 0.00 1.93 1.79 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.19 7.81 97 L 7.85 4.78 0.00 1.76 1.46 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.66 5.17 0.00 1.71 1.66 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.67 1.39 7.81 99 V 8.43 4.82 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 0.80 0.00 0.00 0.95 0.00 0.00 100 C 9.66 5.74 0.00 2.68 2.57 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 0.00 101 A 8.35 5.20 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 0.00 102 L 8.56 4.17 0.00 1.77 1.79 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.75 4.73 0.00 1.86 1.72 0.00 3.11 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 104 V 8.07 4.92 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 0.76 0.00 0.00 0.93 0.00 0.00 105 S 8.82 4.40 0.00 3.91 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 0.00 106 S 8.77 4.12 0.00 4.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.95 3.91 0.00 1.94 1.96 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 108 A 7.88 4.02 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 0.00 109 R 8.04 3.88 0.00 2.06 2.20 0.00 2.78 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 110 S 7.74 4.06 0.00 3.95 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 0.00 111 R 8.08 3.95 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 112 I 7.77 3.70 2.02 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 1.85 1.20 0.95 0.00 0.00 113 L 7.57 4.00 0.00 1.64 1.72 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.64 4.10 0.00 1.68 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 115 A 7.77 4.25 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 0.00 116 G 7.99 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 0.00 117 G 8.35 4.19 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 0.00 118 K 8.03 4.52 0.00 1.79 1.60 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.43 7.81 119 I 8.19 4.56 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 1.23 0.88 0.91 0.00 0.00 120 L 8.69 4.85 0.00 1.73 1.38 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.31 4.55 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 1.28 0.00 0.00 122 F 8.48 3.74 0.00 3.35 3.18 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 0.00 123 D 8.20 4.41 0.00 2.84 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 0.00 124 Q 7.97 3.98 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 125 L 7.71 3.84 0.00 1.41 1.09 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.81 4.08 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 0.00 127 L 7.42 3.91 0.00 1.64 1.88 0.92 1.07 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 0.00 128 E 8.49 4.29 0.00 1.88 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 2.43 2.43 0.00 129 S 8.44 4.67 0.00 3.92 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 0.00 130 P 0.00 4.52 0.00 2.24 2.27 0.00 3.41 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 131 K 8.18 4.06 0.00 1.95 2.04 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 132 G 8.16 4.35 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 0.00 133 R 7.90 4.53 0.00 1.77 1.81 0.00 3.39 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 134 G 8.56 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 0.00 135 T 7.73 5.03 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 1.08 0.00 0.00 136 V 8.60 4.42 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 0.81 0.00 0.00 0.92 0.00 0.00 137 L 8.59 4.81 0.00 1.57 1.66 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.77 4.97 0.00 1.48 1.53 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.50 4.16 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.