NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2671 8.4444 120.2306 55.6582 30.9091 175.0995 6 Q 3.7450 8.6659 123.3294 55.8796 29.2608 174.9354 7 I 3.9413 9.0810 127.2969 63.5817 39.4402 175.5574 8 L 4.4671 7.9283 119.0196 54.4035 42.7217 176.7056 9 V 4.3380 8.7296 121.6632 61.2467 33.4119 174.2649 10 L 5.1179 8.4500 127.3953 52.9991 44.4123 174.6003 11 D 5.0487 8.7598 124.1884 51.6570 43.2584 173.7453 12 P 4.7179 0.0000 0.0000 61.5422 32.3618 174.8607 13 P 4.4458 0.0000 0.0000 64.9365 31.7881 176.9023 14 S 4.7749 7.7268 109.4888 58.3942 68.3975 173.6568 15 D 5.3358 8.0548 119.5949 52.4066 44.3642 174.8176 16 L 4.5197 9.2887 123.5274 53.0586 43.7458 175.4331 17 K 5.1138 8.3842 123.3733 54.6992 34.4151 175.6650 18 F 4.8570 10.1098 124.3780 55.6131 41.5563 174.4048 19 K 4.5856 8.7976 126.3849 55.2182 32.7824 176.7340 20 G 2.7442 7.9355 115.7645 44.3910 0.0000 170.4168 21 P 4.2356 0.0000 0.0000 62.1171 32.6233 176.0118 22 F 4.8400 8.1033 115.5974 57.4894 39.7410 177.2121 23 T 4.1374 7.9821 111.1268 62.7998 69.2961 173.1331 24 D 4.9886 7.4852 120.3122 51.7347 45.0487 174.9149 25 V 3.9825 8.4809 121.2810 63.4212 32.2765 175.1012 26 V 4.4720 8.7337 127.1290 61.5573 33.8969 174.1905 27 T 5.2891 8.6950 124.2517 62.4614 70.6461 174.0976 28 T 4.6337 9.0808 120.8825 61.8225 72.7410 172.4895 29 N 5.3298 8.5406 120.7284 51.4781 41.1721 174.0386 30 L 4.5266 8.7441 125.1081 53.1910 44.8260 175.1327 31 K 4.6087 9.0888 127.2093 55.4634 33.9110 175.9496 32 L 4.9013 9.0856 125.4633 53.1370 44.0924 174.9153 33 Q 4.7977 9.0423 126.6467 54.3897 31.6287 174.1048 34 N 5.0541 8.9413 126.3576 51.6049 38.7570 173.3487 35 P 4.4741 0.0000 0.0000 63.6013 32.0717 176.9784 36 S 4.5943 8.0676 114.7760 57.5979 64.5857 173.4061 37 D 4.8247 8.4617 117.3999 53.2277 39.2854 175.9899 38 R 4.8097 7.5259 117.4542 54.3567 34.1358 175.4451 39 K 4.4652 8.6708 120.6189 56.7122 33.7561 176.0969 40 V 4.8043 8.7466 122.7407 61.4576 34.7651 174.2215 41 C 5.1631 9.1128 126.2797 59.0356 29.9007 172.7127 42 F 5.8216 8.9818 116.9221 55.2573 41.5716 173.4939 43 K 4.9161 9.1607 120.8709 54.8544 35.8472 174.7258 44 V 4.9731 8.6402 126.6991 61.2574 33.2572 174.8733 45 K 4.7698 9.2629 126.3440 55.0801 36.4041 174.8988 46 T 4.6633 7.8636 114.9926 60.8070 69.7455 173.8716 47 T 4.0100 8.2664 117.2274 62.7500 69.6819 174.5744 48 A 4.6659 7.4059 125.0284 49.5120 18.9830 174.6147 49 P 4.2727 0.0000 0.0000 65.3549 31.8401 179.7366 50 R 3.9717 7.8843 116.0211 58.0861 30.3812 177.2579 51 R 4.1176 7.9338 116.1155 56.6676 30.7085 175.2484 52 Y 5.3465 7.3102 113.7518 56.4443 42.4102 174.2423 53 C 4.9821 9.1648 119.0240 58.1247 31.1544 173.2026 54 V 4.9777 8.4910 122.0595 61.2657 34.1411 174.7766 55 R 4.7810 9.1344 126.5821 53.7810 33.6066 173.1303 56 P 4.9064 0.0000 0.0000 62.7010 32.4801 176.0424 57 N 5.0015 8.8635 117.8048 53.3624 38.6823 174.1642 58 S 4.4370 6.9293 112.5999 57.0563 65.7690 174.5209 59 G 3.6529 5.8370 106.0007 45.7989 0.0000 171.0194 60 V 4.8784 7.9732 118.2648 61.1588 34.9814 176.1056 61 I 4.6317 9.1071 127.9288 59.3471 40.0125 175.0568 62 D 4.9211 8.8385 127.3624 53.2693 42.1011 174.5347 63 P 4.4130 0.0000 0.0000 64.4862 31.5733 177.0359 64 G 3.9237 8.6259 108.7726 45.5646 0.0000 173.3483 65 S 4.7732 7.6393 115.7249 57.2582 65.8355 172.6967 66 I 5.0613 8.0121 119.6380 59.8326 40.9603 174.4223 67 V 4.5307 8.9391 122.0374 59.8367 35.2494 174.4893 68 T 4.8659 8.5323 121.2737 61.9069 70.3217 173.8435 69 V 4.2110 8.9086 127.6817 61.4563 33.6200 174.3714 70 S 4.9190 9.1919 123.6474 57.2612 64.0203 172.6592 71 V 4.6423 8.9167 128.1852 61.7281 33.4347 174.3867 72 M 5.1409 9.2694 129.9415 53.5053 33.7651 175.1368 73 L 4.2478 9.0654 127.9819 54.3591 43.0759 176.4004 74 Q 4.5365 8.2971 126.4340 55.1246 29.3598 174.8221 75 P 4.9184 0.0000 0.0000 63.4311 32.2149 175.1615 76 F 4.7836 8.4261 115.1131 55.9715 41.2124 173.8688 77 D 4.3074 8.7922 119.4879 54.2911 39.7057 174.4890 78 Y 4.1848 8.0914 128.0968 56.9582 39.4530 173.8043 79 D 4.4162 8.3557 127.2585 51.5174 41.5249 174.7258 80 P 3.6466 0.0000 0.0000 64.4460 31.3964 177.1983 81 N 4.4186 8.7361 115.5387 54.1050 38.8353 174.4118 82 E 4.3005 8.0553 120.5436 54.4995 29.9908 175.1544 83 K 4.3764 8.2556 127.5593 54.8053 33.6336 176.0455 84 S 3.8583 8.1057 119.1879 58.2391 62.6746 173.7917 85 K 4.3381 8.0583 125.9594 56.4327 32.9548 175.9460 86 H 4.6298 7.7940 116.0889 56.7598 29.9605 174.5682 87 K 5.2157 9.0208 119.8714 54.9639 37.0538 175.1747 88 F 5.0694 9.3891 119.9072 55.9445 43.4768 173.9673 89 M 5.1691 9.1125 120.2039 54.0047 35.6931 173.9789 90 V 4.7596 8.9773 126.9053 61.7203 33.4294 174.1618 91 Q 5.2953 9.2996 128.4037 54.5787 30.9981 175.1411 92 T 5.5511 9.4785 113.3009 60.5708 72.9938 172.4054 93 I 4.6397 8.4005 121.0438 59.5164 41.8964 173.9215 94 F 4.7501 8.4183 126.1240 57.1676 39.7099 175.0449 95 A 4.1691 9.1722 126.0923 51.3971 18.7064 176.1689 96 P 4.5336 0.0000 0.0000 61.1253 32.8814 174.8253 97 P 4.1979 0.0000 0.0000 65.8694 31.3120 178.1685 *100 S 4.5035 7.8952 111.4797 57.7988 64.6841 174.1087 101 D 4.8420 7.5093 117.5072 52.1984 44.6180 176.0859 102 M 4.0418 8.6451 126.0137 58.0585 32.1413 178.3911 103 E 4.0576 8.4554 118.8928 59.7576 29.6924 179.1119 104 A 4.0211 8.3117 119.8566 55.2930 18.0620 179.7298 105 V 3.3386 7.1333 115.8416 66.0592 31.8055 178.1270 106 W 4.4688 8.1502 118.9711 59.5105 28.6486 178.6791 107 K 4.1341 8.0897 117.9883 59.5588 32.2541 178.5885 108 E 4.2076 7.9116 117.8924 56.6736 29.8337 176.9229 109 A 4.2276 7.1455 122.7483 52.3731 19.0200 177.2845 110 K 4.4190 8.9535 122.9803 54.7972 33.2430 176.7269 111 P 4.3362 0.0000 0.0000 65.6486 31.5164 178.2923 112 D 4.4572 8.1055 117.9061 56.8084 40.8237 176.9725 113 E 4.2899 8.2680 117.6256 57.4232 29.9933 176.3884 114 L 4.8801 7.3884 118.7415 53.8465 43.2605 176.1333 115 M 4.9659 9.0231 121.1405 53.7501 36.0161 174.3211 116 D 5.4152 8.6820 120.2582 52.7617 45.1729 175.0213 117 S 4.9147 9.2633 117.2032 56.6950 66.6019 173.1815 118 K 5.1781 8.6397 121.2922 54.6908 34.8862 175.5184 119 L 5.0818 9.2141 123.2902 52.9776 45.9997 175.3681 120 R 4.7887 8.9141 123.0057 55.4026 31.8092 175.1926 121 C 5.1987 8.6536 123.8994 59.3917 29.6885 173.3469 122 V 4.4018 9.4251 121.9600 61.3131 34.4691 173.9440 123 F 5.7564 8.8976 126.7153 56.3694 40.2464 174.7771 124 E 4.9599 9.3253 124.3417 54.4611 33.4016 175.6165 125 M 4.2548 8.5774 121.7254 55.6656 32.6273 175.2941 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 5 E 8.44 4.27 0.00 2.00 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 2.23 2.33 0.00 6 Q 8.67 3.75 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.70 0.00 7 I 9.08 3.94 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.89 0.65 0.00 0.00 8 L 7.93 4.47 0.00 1.57 1.54 0.91 0.92 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 9 V 8.73 4.34 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 1.01 0.00 0.00 0.93 0.00 0.00 10 L 8.45 5.12 0.00 1.62 1.73 0.87 0.88 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 11 D 8.76 5.05 0.00 2.69 2.46 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 12 P 0.00 4.72 0.00 2.27 1.98 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 13 P 0.00 4.45 0.00 2.19 2.20 0.00 3.36 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 14 S 7.73 4.77 0.00 3.87 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 15 D 8.05 5.34 0.00 2.53 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 16 L 9.29 4.52 0.00 1.60 1.32 0.48 0.55 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 17 K 8.38 5.11 0.00 1.56 1.74 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 18 F 10.11 4.86 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 19 K 8.80 4.59 0.00 1.74 1.67 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 20 G 7.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.24 0.00 1.93 1.97 0.00 3.52 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 22 F 8.10 4.84 0.00 2.43 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.98 4.14 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 1.18 0.00 0.00 24 D 7.49 4.99 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.48 3.98 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 0.86 0.00 0.00 0.96 0.00 0.00 26 V 8.73 4.47 2.34 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 1.24 0.00 0.00 0.92 0.00 0.00 27 T 8.70 5.29 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 1.25 0.00 0.00 28 T 9.08 4.63 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 29 N 8.54 5.33 0.00 2.51 2.64 0.00 0.00 6.68 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 30 L 8.74 4.53 0.00 1.52 1.35 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.09 4.61 0.00 1.82 1.65 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.36 7.81 32 L 9.09 4.90 0.00 1.33 1.34 0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.04 4.80 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 34 N 8.94 5.05 0.00 2.92 2.85 0.00 0.00 6.64 7.22 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 35 P 0.00 4.47 0.00 2.24 2.33 0.00 3.94 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 2.02 1.96 0.00 36 S 8.07 4.59 0.00 4.13 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 37 D 8.46 4.82 0.00 2.78 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 38 R 7.53 4.81 0.00 1.66 1.85 0.00 2.72 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 39 K 8.67 4.47 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.47 7.81 40 V 8.75 4.80 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 0.97 0.00 0.00 1.06 0.00 0.00 41 C 9.11 5.16 0.00 2.60 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 42 F 8.98 5.82 0.00 3.21 3.22 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 43 K 9.16 4.92 0.00 1.29 0.94 0.00 1.11 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 1.09 7.81 44 V 8.64 4.97 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 1.14 0.00 0.00 1.15 0.00 0.00 45 K 9.26 4.77 0.00 1.57 1.53 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.23 7.81 46 T 7.86 4.66 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 0.99 0.00 0.00 47 T 8.27 4.01 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 1.14 0.00 0.00 48 A 7.41 4.67 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.27 0.00 2.19 2.28 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 50 R 7.88 3.97 0.00 1.76 1.99 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 51 R 7.93 4.12 0.00 1.59 1.29 0.00 3.01 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 52 Y 7.31 5.35 0.00 3.05 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 53 C 9.16 4.98 0.00 2.93 2.88 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 54 V 8.49 4.98 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 0.96 0.00 0.00 1.23 0.00 0.00 55 R 9.13 4.78 0.00 1.79 1.82 0.00 3.22 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 56 P 0.00 4.91 0.00 2.42 2.14 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 57 N 8.86 5.00 0.00 2.91 3.33 0.00 0.00 5.62 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 58 S 6.93 4.44 0.00 3.94 3.72 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 59 G 5.84 3.65 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 0.00 0.00 0.00 60 V 7.97 4.88 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 0.93 0.00 0.00 0.89 0.00 0.00 61 I 9.11 4.63 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.95 0.00 0.00 62 D 8.84 4.92 0.00 2.71 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 63 P 0.00 4.41 0.00 2.19 2.13 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 64 G 8.63 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.64 4.77 0.00 4.07 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 66 I 8.01 5.06 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.90 0.00 0.00 67 V 8.94 4.53 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 0.75 0.00 0.00 0.73 0.00 0.00 68 T 8.53 4.87 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 1.21 0.00 0.00 69 V 8.91 4.21 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 1.03 0.00 0.00 0.79 0.00 0.00 70 S 9.19 4.92 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.92 4.64 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 0.77 0.00 0.00 0.65 0.00 0.00 72 M 9.27 5.14 0.00 2.06 2.23 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 2.61 2.53 0.00 73 L 9.07 4.25 0.00 1.50 1.75 -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.30 4.54 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 75 P 0.00 4.92 0.00 2.11 2.09 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 76 F 8.43 4.78 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.79 4.31 0.00 2.68 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 78 Y 8.09 4.18 0.00 2.60 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 79 D 8.36 4.42 0.00 2.63 2.45 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 80 P 0.00 3.65 0.00 2.19 2.09 0.00 3.16 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 81 N 8.74 4.42 0.00 2.79 2.87 0.00 0.00 6.86 7.90 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 82 E 8.06 4.30 0.00 1.86 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 2.24 2.22 0.00 83 K 8.26 4.38 0.00 1.73 1.64 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 84 S 8.11 3.86 0.00 2.72 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 85 K 8.06 4.34 0.00 1.67 1.74 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.40 7.81 86 H 7.79 4.63 0.00 3.20 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.02 5.22 0.00 1.61 1.70 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.56 7.81 88 F 9.39 5.07 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 M 9.11 5.17 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 90 V 8.98 4.76 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 0.95 0.00 0.00 0.94 0.00 0.00 91 Q 9.30 5.30 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.46 0.00 0.00 0.00 0.00 0.00 2.46 2.20 0.00 92 T 9.48 5.55 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 1.36 0.00 0.00 93 I 8.40 4.64 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.56 0.33 0.00 0.00 94 F 8.42 4.75 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.17 4.17 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 96 P 0.00 4.53 0.00 2.14 2.03 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 97 P 0.00 4.20 0.00 2.04 2.14 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 *100 S 7.90 4.50 0.00 3.87 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 0.00 101 D 7.51 4.84 0.00 2.72 2.45 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 0.00 102 M 8.65 4.04 0.00 2.18 2.15 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 2.69 2.56 0.00 103 E 8.46 4.06 0.00 2.27 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 0.00 2.38 2.52 0.00 104 A 8.31 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.13 3.34 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.89 0.00 0.00 106 W 8.15 4.47 0.00 3.45 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 0.00 107 K 8.09 4.13 0.00 1.97 2.01 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.59 7.81 108 E 7.91 4.21 0.00 2.10 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 2.33 2.45 0.00 109 A 7.15 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.95 4.42 0.00 1.87 1.91 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 111 P 0.00 4.34 0.00 2.24 2.34 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 112 D 8.11 4.46 0.00 2.72 2.80 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 0.00 113 E 8.27 4.29 0.00 2.01 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 2.44 0.00 114 L 7.39 4.88 0.00 1.72 1.65 1.03 1.50 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 0.00 115 M 9.02 4.97 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 116 D 8.68 5.42 0.00 2.51 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.26 4.91 0.00 3.69 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.64 5.18 0.00 1.60 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 119 L 9.21 5.08 0.00 1.60 1.52 0.92 0.72 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 0.00 120 R 8.91 4.79 0.00 1.88 2.00 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 121 C 8.65 5.20 0.00 3.00 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 0.00 122 V 9.43 4.40 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 1.08 0.00 0.00 0.98 0.00 0.00 123 F 8.90 5.76 0.00 3.12 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 0.00 124 E 9.33 4.96 0.00 2.16 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 2.24 2.29 0.00 125 M 8.58 4.25 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 * Residues marked with a * may have inaccurate shift predictions.