# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 Q C C 102.15 6.20 17.15 24.46 119.11 -164.86 -102.63 137.44 99.52 0.48 0.00 99.57 0.05 0.01 0.00 0.00 0.00 0.36 0.01 1 V E E 69.27 11.94 13.50 25.99 119.96 -150.51 -106.61 131.51 46.04 53.91 0.05 45.21 0.49 0.10 0.01 0.03 0.00 53.49 0.68 2 L E E 45.56 12.86 15.22 29.32 119.56 -157.39 -106.07 132.33 13.74 86.24 0.03 12.61 0.72 0.06 0.01 0.02 0.00 86.23 0.36 3 K E E 106.32 9.49 18.70 29.21 122.31 -159.47 -113.49 135.64 7.26 92.73 0.01 6.42 0.43 0.02 0.00 0.01 0.00 93.04 0.08 4 F E E 30.83 17.38 16.81 34.50 133.02 -177.23 -135.57 150.88 3.52 96.48 0.01 3.16 0.16 0.01 0.00 0.00 0.00 96.62 0.05 5 T E E 53.56 11.07 22.71 34.15 122.14 -148.58 -116.14 132.79 1.55 98.44 0.00 1.45 0.05 0.00 0.00 0.00 0.00 98.45 0.05 6 L E E 11.26 23.07 16.98 40.20 118.02 -159.66 -109.12 126.87 2.85 97.15 0.00 2.69 0.09 0.00 0.00 0.00 0.00 97.01 0.21 7 D E E 63.69 7.71 25.16 33.30 108.97 -146.64 -94.07 113.59 18.53 81.44 0.02 17.09 1.09 0.06 0.01 0.02 0.00 81.07 0.66 8 C C C 8.97 23.50 14.07 37.99 99.76 -174.70 -97.60 13.27 81.97 16.27 1.76 57.45 15.80 8.29 0.25 1.78 0.00 14.97 1.47 9 T C S 68.80 8.26 20.08 29.09 93.53 108.42 -72.08 -22.11 94.25 4.94 0.82 12.77 68.90 12.66 0.09 0.73 0.00 4.11 0.74 10 H C S 99.43 6.10 19.49 26.27 109.95 42.40 -116.02 83.76 95.35 4.19 0.46 12.67 80.86 2.29 0.08 0.27 0.00 2.93 0.89 11 P C C 43.58 14.80 13.50 28.46 111.76 -154.95 -70.91 143.19 86.87 11.96 1.18 81.32 4.20 0.95 0.56 0.55 0.00 5.33 7.09 12 V C C 46.59 13.77 11.98 25.85 117.56 -123.94 -94.21 152.48 71.84 25.99 2.17 65.41 3.76 1.10 1.16 0.96 0.00 10.64 16.96 13 E C T 153.04 1.69 14.94 17.10 95.02 -104.17 -66.52 -24.93 69.71 21.90 8.39 4.08 11.66 56.05 1.27 6.64 0.19 13.60 6.51 14 D C T 106.85 2.65 14.40 17.84 94.99 48.73 -86.96 7.88 91.50 0.98 7.52 1.26 7.89 82.24 0.51 7.20 0.00 0.54 0.37 15 G C S 46.42 5.65 14.11 21.24 95.63 -104.76 82.17 6.92 94.18 2.18 3.65 7.49 55.38 31.33 0.29 3.42 0.00 1.19 0.90 16 I C S 62.09 11.32 16.18 28.19 99.70 111.28 -87.65 -28.01 76.33 22.99 0.68 35.09 40.72 2.65 0.34 0.39 0.01 11.46 9.34 17 M C C 24.20 19.77 13.68 33.08 128.83 26.44 -129.20 143.57 52.19 47.12 0.69 35.67 16.47 0.94 0.49 0.29 0.01 19.19 26.95 18 D C C 66.72 6.14 24.01 30.16 117.37 -144.72 -100.14 143.83 83.19 16.00 0.82 81.90 1.73 0.41 0.64 0.20 0.00 11.29 3.84 19 A H H 27.47 18.61 14.50 32.68 92.85 -128.47 -60.62 -36.72 11.00 0.24 88.76 4.08 1.76 5.62 83.29 4.97 0.03 0.16 0.08 20 A H H 61.01 3.28 21.66 24.69 91.63 55.65 -63.27 -40.39 6.88 0.08 93.04 0.83 0.64 5.09 86.20 7.13 0.03 0.05 0.02 21 N H H 64.12 7.43 20.75 28.73 92.04 49.65 -66.38 -38.60 4.85 0.08 95.07 0.99 0.52 3.06 86.77 8.58 0.02 0.05 0.02 22 F H H 8.55 24.07 15.30 39.38 91.99 51.77 -63.87 -42.97 1.99 0.03 97.97 0.77 0.26 0.92 96.12 1.89 0.00 0.02 0.01 23 E H H 64.87 13.06 19.67 32.61 91.58 52.69 -62.94 -41.59 1.12 0.02 98.86 0.36 0.10 0.56 98.55 0.41 0.00 0.01 0.00 24 Q H H 102.56 2.13 23.72 24.25 91.68 50.52 -64.37 -41.79 0.76 0.01 99.23 0.17 0.07 0.42 99.12 0.21 0.00 0.01 0.00 25 F H H 34.94 12.39 19.15 32.71 91.84 49.27 -64.35 -43.27 0.53 0.01 99.46 0.12 0.05 0.29 99.34 0.20 0.00 0.00 0.00 26 L H H 7.77 23.65 14.86 38.49 91.94 49.74 -64.77 -41.12 0.52 0.01 99.47 0.10 0.03 0.30 99.21 0.34 0.00 0.00 0.00 27 Q H H 94.27 8.97 18.71 28.12 91.96 52.92 -65.72 -36.00 1.58 0.01 98.42 0.11 0.08 1.29 97.83 0.69 0.00 0.00 0.00 28 E H H 127.01 2.35 20.99 22.63 94.21 46.85 -74.65 -30.41 9.93 0.02 90.06 0.24 0.41 9.42 89.14 0.76 0.01 0.00 0.01 29 R H H 99.90 10.30 17.98 28.43 101.44 32.98 -102.55 -12.02 32.79 0.26 66.95 2.51 3.10 26.32 66.70 1.09 0.06 0.10 0.13 30 I C C 21.04 21.96 12.04 33.14 111.75 77.02 -97.10 119.75 84.71 10.01 5.27 59.19 21.15 3.81 5.29 0.96 0.01 5.97 3.63 31 K E C 110.16 5.19 20.88 27.04 124.48 144.61 -119.26 136.89 48.46 50.07 1.47 45.40 2.07 0.68 1.25 0.42 0.00 40.00 10.17 32 V E E 37.76 17.32 10.80 27.59 118.06 -167.79 -123.41 119.56 18.34 79.61 2.05 11.15 4.06 2.07 1.29 0.97 0.06 49.54 30.87 33 N C T 127.76 2.21 14.63 17.87 92.83 -12.95 52.95 39.85 95.34 1.38 3.28 0.89 5.06 89.74 0.29 2.76 0.01 0.86 0.41 34 G C T 63.48 1.33 13.91 15.34 94.32 -51.60 79.48 3.71 97.45 0.25 2.30 0.81 6.55 90.00 0.13 2.26 0.00 0.15 0.09 35 K E E 112.94 4.26 14.03 20.19 121.90 110.70 -111.51 137.53 22.67 76.48 0.85 6.09 10.86 6.60 0.33 0.46 0.09 41.22 34.34 36 A C T 66.59 7.08 13.31 21.86 112.88 -113.88 -68.70 138.80 68.71 26.02 5.27 8.03 13.11 50.76 0.84 4.30 0.04 18.69 4.23 37 G C T 41.41 7.33 16.60 24.91 96.02 18.80 79.33 -0.59 88.20 6.15 5.65 16.06 21.95 50.27 0.93 4.95 0.01 4.55 1.27 38 N C C 74.43 9.11 17.33 27.18 99.11 118.16 -84.58 1.56 78.34 11.50 10.16 46.38 18.63 13.66 2.45 7.70 0.03 6.37 4.80 39 L C C 38.39 18.45 12.97 30.45 98.73 66.54 -90.12 3.81 69.87 20.32 9.81 38.98 15.70 16.01 2.68 6.86 0.09 10.13 9.56 40 G C T 43.95 5.71 17.04 23.94 101.66 -108.90 70.08 31.30 67.52 17.28 15.20 22.64 16.43 30.13 2.67 11.70 0.11 8.96 7.35 41 G C T 59.20 2.36 16.76 19.78 94.97 -20.45 65.42 18.05 86.02 2.00 11.98 5.83 18.71 60.65 1.12 11.49 0.01 1.19 1.00 42 G C T 42.51 8.66 16.31 25.60 95.29 -66.17 80.05 7.51 90.03 2.52 7.45 7.57 25.88 56.22 0.52 7.40 0.00 1.72 0.69 43 V C E 46.60 12.13 18.40 31.18 97.63 112.51 -87.21 -21.91 51.94 46.66 1.41 26.12 20.85 7.41 0.35 1.25 0.03 38.84 5.15 44 V E E 8.39 24.14 12.59 36.70 125.48 50.29 -120.46 135.89 16.56 83.39 0.05 14.47 1.65 0.12 0.01 0.04 0.00 82.63 1.08 45 T E E 59.23 5.99 26.24 32.61 123.35 -165.13 -118.38 136.98 3.12 96.88 0.01 3.05 0.08 0.00 0.00 0.00 0.00 96.74 0.12 46 I E E 29.16 22.83 13.49 35.73 121.21 -159.27 -116.65 128.20 1.59 98.41 0.00 1.56 0.05 0.00 0.00 0.00 0.00 98.38 0.02 47 E E E 96.63 4.21 23.60 28.06 124.19 -173.35 -124.42 137.18 0.81 99.19 0.00 0.71 0.04 0.00 0.00 0.00 0.00 99.22 0.03 48 R E E 115.73 13.23 12.67 25.93 118.64 -149.31 -104.59 129.18 5.00 94.98 0.02 4.08 0.52 0.07 0.00 0.01 0.00 95.15 0.16 49 S C C 52.62 4.37 15.13 20.87 127.83 175.19 -125.91 165.97 64.83 35.13 0.03 60.94 1.73 0.13 0.00 0.02 0.00 36.83 0.34 50 K C S 167.18 1.31 15.37 16.64 95.08 -79.83 -58.60 -41.17 99.39 0.44 0.17 2.54 61.83 35.08 0.01 0.15 0.00 0.34 0.05 51 S C S 61.51 8.91 13.89 23.48 101.97 8.73 -108.37 1.29 99.43 0.44 0.14 1.75 60.69 37.04 0.00 0.13 0.00 0.34 0.03 52 K E E 78.92 8.52 19.08 28.62 136.86 49.98 -142.81 153.84 29.78 70.20 0.02 22.59 6.48 0.22 0.00 0.02 0.00 70.23 0.45 53 I E E 10.73 22.52 14.64 37.86 120.13 -144.21 -113.01 128.91 2.27 97.73 0.00 2.17 0.04 0.00 0.00 0.00 0.00 97.75 0.04 54 T E E 35.74 9.17 25.44 35.71 120.00 -163.26 -112.11 130.45 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 55 V E E 6.81 24.29 16.86 41.68 121.92 -168.06 -117.11 129.78 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 56 T E E 51.43 8.73 25.72 34.97 123.33 -168.88 -118.57 135.42 1.28 98.72 0.00 1.18 0.03 0.00 0.00 0.00 0.00 98.75 0.04 57 S E E 12.05 21.86 13.22 34.58 132.29 -169.52 -134.09 153.46 24.95 75.04 0.01 23.05 1.08 0.04 0.00 0.01 0.00 75.46 0.37 58 E C S 127.08 3.89 21.85 26.35 96.20 -147.28 -88.43 -7.47 86.51 13.45 0.03 28.76 57.04 0.50 0.00 0.03 0.00 13.30 0.36 59 V C S 40.94 13.28 16.34 30.65 120.42 79.21 -104.36 135.54 93.88 6.08 0.05 21.37 72.37 0.64 0.01 0.04 0.00 5.05 0.52 60 P C C 75.78 7.09 23.28 30.67 112.76 -109.78 -67.35 141.16 96.57 3.38 0.05 89.82 6.53 0.41 0.01 0.04 0.00 2.69 0.50 61 F C C 12.74 24.81 12.17 36.90 122.17 -138.77 -106.81 143.16 93.19 6.66 0.15 87.47 5.26 0.20 0.08 0.06 0.00 2.12 4.81 62 S C C 38.99 6.91 23.17 30.32 121.62 -127.60 -84.51 159.18 97.58 2.23 0.19 96.96 0.96 0.09 0.12 0.03 0.00 0.70 1.14 63 K H H 104.35 11.59 16.32 28.29 91.48 -110.13 -58.98 -36.75 2.67 0.00 97.33 0.25 0.38 1.91 96.77 0.69 0.00 0.00 0.00 64 R H H 137.00 3.51 21.68 24.96 91.35 55.24 -63.59 -39.93 1.67 0.00 98.32 0.12 0.13 1.34 97.45 0.96 0.00 0.00 0.00 65 Y H H 38.00 16.40 18.92 35.34 92.03 49.07 -65.78 -41.11 0.67 0.00 99.33 0.08 0.05 0.46 98.30 1.10 0.00 0.00 0.00 66 L H H 8.31 23.54 17.37 40.67 91.51 51.06 -64.05 -42.13 0.19 0.00 99.81 0.03 0.01 0.11 99.61 0.24 0.00 0.00 0.00 67 K H H 88.81 9.77 22.48 32.21 91.62 51.70 -63.52 -41.40 0.36 0.00 99.64 0.03 0.02 0.29 99.30 0.36 0.00 0.00 0.00 68 Y H H 84.30 7.24 23.91 31.59 91.83 49.41 -64.86 -42.08 0.85 0.00 99.15 0.05 0.03 0.72 98.81 0.39 0.00 0.00 0.00 69 L H H 13.54 19.55 20.91 40.25 91.94 48.80 -65.51 -42.51 4.22 0.01 95.77 0.20 0.22 3.64 95.47 0.46 0.00 0.00 0.00 70 T H H 9.91 21.52 19.53 40.62 92.81 48.20 -66.99 -40.38 20.32 0.06 79.63 1.69 1.29 16.31 79.85 0.79 0.01 0.02 0.03 71 K H H 93.99 8.95 22.28 31.29 92.16 52.71 -63.59 -41.10 8.11 0.04 91.86 1.57 0.91 5.18 91.71 0.60 0.01 0.01 0.01 72 K H H 89.83 5.20 22.94 28.30 92.06 49.53 -65.17 -41.54 3.67 0.01 96.32 0.53 0.36 2.59 96.04 0.47 0.01 0.01 0.01 73 Y H H 25.87 16.04 18.05 34.66 92.45 48.07 -65.41 -42.51 1.31 0.01 98.68 0.26 0.16 0.83 98.12 0.61 0.00 0.00 0.00 74 L H H 16.39 18.38 14.56 33.30 91.92 49.97 -64.24 -41.57 0.91 0.01 99.09 0.18 0.08 0.56 98.37 0.81 0.00 0.00 0.00 75 K H H 131.49 2.81 17.99 21.27 92.26 49.24 -65.19 -40.84 1.36 0.00 98.63 0.13 0.07 1.02 97.97 0.80 0.00 0.00 0.00 76 K H H 128.93 3.34 16.53 20.64 92.04 50.57 -66.74 -33.41 6.49 0.01 93.50 0.16 0.23 6.18 92.77 0.65 0.01 0.00 0.00 77 N C T 55.07 11.20 12.68 25.07 96.84 42.05 -99.89 6.90 86.12 0.03 13.85 0.45 1.74 83.08 14.09 0.59 0.00 0.01 0.03 78 N C T 127.46 1.74 19.21 20.85 92.72 -121.82 57.79 39.36 99.72 0.01 0.27 1.74 1.34 96.76 0.11 0.05 0.00 0.00 0.00 79 L C C 19.68 19.27 12.33 31.77 101.38 133.34 -104.66 24.36 98.07 0.76 1.17 96.71 1.04 0.72 0.32 0.49 0.00 0.30 0.42 80 R C G 95.59 14.68 16.31 30.35 93.29 125.14 -62.01 -34.03 57.53 1.36 41.10 32.95 5.14 15.36 1.26 44.10 0.00 0.93 0.25 81 D C G 100.62 3.87 22.47 26.95 91.08 61.26 -72.95 -12.84 54.22 1.40 44.38 3.02 9.06 38.87 0.65 47.18 0.00 0.94 0.28 82 W C G 43.03 17.72 18.30 35.99 98.35 54.38 -97.63 -7.86 48.90 4.96 46.13 6.54 8.93 31.82 0.73 47.31 0.00 4.35 0.32 83 L E E 6.37 25.23 16.60 42.16 124.16 78.81 -109.43 135.91 18.89 80.71 0.41 15.59 3.28 0.40 0.09 0.29 0.00 79.71 0.64 84 R E E 68.37 13.06 26.59 39.39 129.16 -174.94 -126.46 144.41 3.47 96.52 0.01 2.93 0.25 0.02 0.00 0.01 0.00 96.74 0.05 85 V E E 20.36 21.35 21.00 41.84 117.45 -134.64 -101.66 128.53 0.57 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.01 86 V E E 25.63 14.86 22.26 37.52 124.20 -171.89 -119.57 136.33 0.71 99.29 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.33 0.02 87 A E E 24.30 15.31 16.19 32.10 122.40 -157.86 -113.95 136.09 6.59 93.39 0.02 6.03 0.32 0.04 0.00 0.01 0.00 93.44 0.16 88 N C E 91.34 6.42 16.99 24.59 99.40 -166.87 -94.01 -20.90 54.49 45.42 0.10 23.53 28.32 1.54 0.01 0.10 0.00 46.18 0.32 89 S C S 55.82 2.97 18.36 21.18 136.70 -0.04 -144.90 173.47 70.23 29.47 0.30 12.43 51.61 5.96 0.02 0.31 0.00 28.46 1.21 90 K C T 145.62 4.82 13.83 20.17 93.50 -87.77 -66.48 -26.01 99.16 0.32 0.52 1.12 41.78 56.36 0.02 0.45 0.00 0.19 0.07 91 E C T 127.44 4.29 15.90 21.15 101.17 30.79 -104.42 1.38 98.92 0.70 0.39 2.06 41.89 55.04 0.01 0.39 0.00 0.51 0.09 92 S E E 34.21 8.81 17.75 28.16 130.94 61.70 -131.43 147.86 43.76 56.13 0.11 35.16 7.36 0.66 0.02 0.11 0.00 56.00 0.70 93 Y E E 29.82 20.89 13.30 33.95 131.91 -173.66 -135.30 147.96 8.65 91.34 0.01 7.76 0.36 0.03 0.00 0.00 0.00 91.73 0.12 94 E E E 75.51 8.06 24.85 33.53 125.45 -159.51 -122.35 138.04 0.82 99.18 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.25 0.01 95 L E E 18.16 22.88 15.62 38.43 117.32 -138.21 -94.82 131.57 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 96 R E E 83.36 10.21 23.41 33.79 123.80 -168.67 -118.19 133.54 1.07 98.93 0.00 0.97 0.04 0.00 0.00 0.00 0.00 98.98 0.01 97 Y E E 68.78 16.57 16.95 33.20 121.40 -146.30 -103.45 138.01 6.77 93.22 0.01 6.07 0.37 0.03 0.00 0.01 0.00 93.30 0.22 98 F E E 47.68 14.22 16.25 31.25 124.17 -167.82 -119.30 139.45 33.32 66.53 0.15 28.10 3.72 0.61 0.03 0.13 0.00 66.51 0.89 99 Q C C 106.21 6.44 17.53 25.15 114.46 -134.61 -92.64 126.82 54.24 45.55 0.21 49.60 2.18 0.75 0.05 0.16 0.00 45.30 1.96 100 I C C 58.54 15.59 13.71 28.90 112.49 -153.27 -92.31 119.23 99.56 0.44 0.00 99.62 0.05 0.01 0.00 0.00 0.00 0.31 0.01