# 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 G C C 36.88 7.97 17.16 25.69 120.39 -140.88 121.15 172.72 99.60 0.39 0.01 99.45 0.19 0.07 0.00 0.00 0.00 0.26 0.03 1 V C C 68.03 12.10 12.53 25.03 119.89 -117.01 -106.52 137.39 70.07 29.50 0.43 67.09 1.55 0.59 0.15 0.22 0.00 25.82 4.58 2 R C E 130.05 6.13 16.53 23.93 118.32 -154.04 -101.34 135.36 52.22 47.11 0.67 41.84 7.80 1.57 0.22 0.57 0.00 42.24 5.75 3 T E E 60.85 10.40 12.80 24.25 124.00 -151.82 -112.33 144.06 39.12 60.30 0.58 31.00 4.59 0.52 0.42 0.27 0.00 36.36 26.85 4 S C C 29.26 10.49 11.06 23.05 122.35 -123.99 -82.07 166.61 92.35 7.32 0.33 87.04 4.26 1.00 0.09 0.23 0.00 5.35 2.03 5 P C T 111.83 2.81 12.93 17.30 91.08 -95.98 -64.20 -22.72 98.14 0.68 1.18 3.16 11.25 83.57 0.08 1.25 0.00 0.54 0.14 6 T C T 96.07 2.36 12.52 15.78 95.24 53.29 -89.01 -2.41 98.28 0.42 1.30 2.01 11.00 85.18 0.08 1.34 0.00 0.29 0.11 7 G C S 45.28 4.60 12.64 18.85 98.96 -103.43 86.53 5.28 95.01 3.79 1.20 24.75 65.84 4.60 0.13 1.14 0.00 2.06 1.48 8 E C C 89.38 6.39 13.07 21.39 117.16 139.46 -81.52 144.35 93.81 5.91 0.28 82.08 10.56 1.11 0.09 0.20 0.00 4.81 1.16 9 K E E 118.04 6.59 17.04 24.91 115.44 -121.34 -83.93 135.27 34.22 65.27 0.52 28.60 2.99 0.40 0.35 0.23 0.00 34.16 33.26 10 V E C 44.83 14.78 13.63 28.70 118.14 -145.81 -102.41 133.69 48.88 50.73 0.39 45.00 2.04 0.30 0.23 0.20 0.00 41.53 10.70 11 T C C 56.27 9.78 17.11 27.55 112.95 -166.97 -99.74 150.72 75.06 24.13 0.80 64.30 8.18 1.72 0.25 0.64 0.00 20.27 4.65 12 H C S 89.79 11.22 15.55 26.83 111.19 -79.19 -107.00 31.60 67.41 28.37 4.22 19.93 28.12 20.73 1.10 3.08 0.14 17.37 9.54 13 T C T 73.07 8.53 16.21 25.11 101.36 -3.56 -87.15 18.79 91.13 5.53 3.34 9.90 24.06 57.22 0.52 2.99 0.01 3.82 1.47 14 G C T 43.95 6.27 16.52 23.69 98.27 -73.74 84.21 3.68 91.96 6.09 1.95 20.38 31.67 40.20 0.17 2.04 0.00 4.51 1.04 15 Q C C 65.22 11.28 13.20 25.53 119.58 131.06 -92.84 143.22 73.15 26.20 0.65 59.76 10.84 1.64 0.22 0.55 0.00 18.87 8.13 16 V C C 88.41 5.65 17.96 24.89 120.35 -149.30 -109.46 135.37 60.14 39.49 0.37 55.24 3.57 0.45 0.17 0.23 0.00 25.41 14.92 17 Y C C 68.88 16.13 9.95 25.61 117.15 -130.29 -85.42 140.05 81.21 18.58 0.21 77.17 3.85 0.35 0.07 0.13 0.00 13.27 5.15 18 D C C 70.99 4.90 15.79 21.78 115.02 -140.42 -95.33 124.33 95.03 4.86 0.10 92.78 2.30 0.21 0.04 0.05 0.00 2.15 2.47 19 D C T 110.24 4.24 11.86 18.34 91.88 -137.72 -64.46 -22.28 98.92 0.24 0.84 1.23 5.17 92.65 0.13 0.58 0.00 0.14 0.10 20 E C T 149.42 1.29 14.53 15.56 94.39 56.57 -88.03 -2.66 99.20 0.14 0.66 1.47 5.08 92.74 0.09 0.48 0.00 0.08 0.04 21 D C C 43.16 10.12 10.01 21.92 107.87 103.69 -86.03 109.61 92.05 7.21 0.74 80.14 10.88 0.61 0.26 0.45 0.00 2.78 4.87 22 Y H G 108.03 9.78 13.13 24.32 93.67 -171.59 -72.81 -18.47 40.78 2.71 56.51 11.81 5.79 21.79 3.10 55.07 0.00 1.74 0.70 23 R H G 121.00 7.53 15.09 23.77 91.88 67.80 -72.81 -17.85 34.63 6.09 59.28 7.39 6.12 21.66 3.83 55.24 0.02 4.54 1.19 24 R H G 118.53 7.52 16.24 24.55 95.28 65.25 -81.36 -1.12 32.55 7.17 60.27 13.54 8.59 12.08 4.74 54.32 0.01 5.52 1.20 25 V C C 44.75 12.92 11.79 25.55 112.92 111.67 -81.51 128.46 70.24 15.78 13.98 47.72 17.48 4.34 6.40 7.74 0.05 8.43 7.82 26 R C C 128.60 6.59 16.18 23.60 99.92 -152.24 -78.35 -14.60 73.73 16.44 9.83 34.34 25.17 14.36 4.17 5.47 0.14 9.97 6.38 27 F C C 88.19 9.54 11.90 22.43 109.25 50.23 -106.93 87.23 61.76 30.74 7.50 25.65 21.96 14.40 3.06 4.23 0.52 13.53 16.66 28 V C T 94.52 5.83 10.86 18.40 109.85 132.03 -69.68 126.31 89.47 7.22 3.30 5.76 9.09 74.63 0.80 2.28 0.01 4.71 2.71 29 G C T 66.51 0.65 13.70 13.06 95.28 9.44 80.03 -0.44 97.46 1.15 1.39 5.33 13.31 78.80 0.18 1.23 0.00 0.88 0.27 30 R C C 123.85 4.86 10.43 17.43 126.64 103.02 -114.18 153.30 87.74 10.88 1.38 50.70 34.79 2.80 0.43 0.97 0.00 4.95 5.35 31 Q C C 138.38 1.84 15.26 17.42 113.14 -100.59 -73.88 141.20 83.65 15.08 1.26 77.71 4.06 1.41 0.48 0.74 0.00 9.36 6.24 32 K C C 90.15 13.90 9.11 22.55 113.95 -111.07 -76.76 136.79 86.65 11.60 1.75 76.22 7.83 2.25 0.53 1.27 0.00 8.42 3.48 33 E C C 111.79 4.65 16.99 22.80 119.98 -154.92 -108.68 138.29 72.89 25.59 1.51 63.21 6.53 1.63 0.73 0.89 0.00 16.40 10.60 34 V C C 78.92 10.79 12.25 23.78 117.20 -134.86 -92.12 134.14 74.32 24.31 1.37 63.74 7.53 1.35 0.77 0.72 0.00 14.43 11.47 35 N C C 55.60 10.92 11.28 23.36 111.55 -133.60 -88.77 121.95 94.20 4.83 0.97 88.12 5.15 1.11 0.47 0.39 0.00 3.00 1.77 36 E C T 144.34 2.88 15.09 19.16 94.09 -155.16 -73.04 -18.72 87.32 1.03 11.65 13.02 17.91 56.62 7.10 4.28 0.01 0.62 0.44 37 N C T 94.95 5.14 14.38 20.69 98.65 58.12 -93.90 11.84 86.53 1.19 12.29 15.61 15.05 56.10 7.88 4.14 0.01 0.60 0.62 38 F C C 59.45 10.99 13.46 25.75 112.29 119.76 -77.86 143.11 66.57 3.77 29.66 55.21 6.26 4.72 26.83 3.14 0.00 1.34 2.49 39 A H H 36.78 12.70 15.61 28.71 94.47 -117.90 -63.28 -37.08 13.46 0.39 86.16 9.09 1.82 3.39 80.66 4.71 0.01 0.21 0.13 40 I H H 71.67 9.02 16.90 26.75 92.68 53.24 -65.66 -39.93 4.54 0.20 95.26 1.93 0.72 2.18 88.83 6.15 0.01 0.14 0.04 41 D H H 78.90 3.60 18.79 22.67 92.23 51.24 -65.58 -37.91 3.21 0.17 96.61 1.33 0.45 1.57 89.33 7.14 0.01 0.15 0.03 42 L H H 45.04 10.21 15.80 27.36 92.30 51.99 -65.32 -40.50 3.81 0.16 96.03 1.49 0.55 1.96 90.02 5.80 0.01 0.12 0.03 43 I H H 44.06 14.31 14.15 28.86 92.19 52.38 -64.73 -39.07 4.32 0.09 95.58 0.96 0.48 2.86 84.51 11.08 0.01 0.06 0.03 44 A H H 64.95 5.99 15.96 23.14 91.28 57.70 -68.33 -23.95 21.51 0.06 78.42 1.15 1.05 18.71 68.41 10.60 0.02 0.03 0.04 45 E H H 130.91 2.75 16.90 20.00 94.29 55.89 -85.52 -9.60 47.16 0.11 52.73 2.14 2.98 40.44 44.26 10.04 0.01 0.05 0.07 46 Q C S 62.41 14.04 10.55 24.61 117.92 91.96 -88.13 138.30 99.34 0.46 0.20 21.65 77.50 0.33 0.14 0.03 0.00 0.13 0.21 47 P C C 87.38 3.16 19.88 23.01 115.37 -104.51 -65.86 148.87 98.57 1.38 0.06 96.87 1.77 0.18 0.01 0.03 0.00 0.92 0.22 48 V C C 61.13 18.15 11.00 27.84 115.41 -109.70 -79.07 135.96 80.41 19.52 0.07 75.13 4.64 0.23 0.01 0.06 0.00 19.14 0.78 49 S E E 52.62 7.40 19.17 27.68 125.38 -169.49 -122.04 141.84 6.36 93.62 0.02 5.69 0.57 0.04 0.01 0.02 0.00 92.48 1.19 50 Q E E 116.81 5.74 18.03 25.45 113.41 -116.61 -76.54 132.80 5.42 94.54 0.04 5.12 0.26 0.03 0.01 0.02 0.00 93.29 1.26 51 V E E 28.95 18.51 10.03 27.70 119.95 -168.59 -111.34 134.63 48.28 51.56 0.16 47.63 0.88 0.18 0.03 0.10 0.00 50.01 1.17 52 G C S 58.39 1.69 19.41 20.57 97.67 -154.04 -86.27 -14.88 82.24 17.23 0.53 33.20 39.58 8.75 0.04 0.62 0.00 17.14 0.67 53 S C S 54.91 6.07 18.48 25.61 132.51 44.84 -129.63 158.30 88.96 10.51 0.53 10.06 66.80 10.95 0.02 0.52 0.00 11.20 0.45 54 R C S 108.47 13.89 16.14 29.61 97.82 -135.38 -86.53 -9.44 79.03 20.64 0.33 31.30 44.37 2.36 0.02 0.33 0.00 21.14 0.48 55 V E E 59.70 9.62 21.52 32.08 125.01 60.39 -122.74 134.10 15.54 84.42 0.03 13.88 1.43 0.07 0.00 0.02 0.00 84.18 0.42 56 I E E 14.83 22.62 16.88 39.37 127.41 -172.37 -124.69 139.71 1.72 98.28 0.00 1.57 0.06 0.00 0.00 0.00 0.00 98.27 0.10 57 S E E 42.24 11.01 25.63 36.95 127.68 -160.14 -119.20 145.18 2.21 97.79 0.01 2.04 0.08 0.00 0.00 0.00 0.00 97.80 0.07 58 C E E 12.12 22.83 16.26 38.54 130.88 -164.61 -131.77 147.87 20.34 79.61 0.05 18.48 1.31 0.11 0.01 0.03 0.00 79.30 0.76 59 D C C 68.20 8.26 23.05 31.68 102.94 -136.33 -90.45 55.28 66.48 33.32 0.20 59.32 5.05 0.73 0.04 0.18 0.00 32.92 1.76 60 G C C 26.02 14.47 15.72 29.84 98.66 -146.39 30.69 -1.05 92.95 5.98 1.07 63.47 20.23 9.01 0.20 1.10 0.00 4.15 1.84 61 G C S 39.62 7.66 16.34 24.88 110.68 -122.43 84.76 75.97 92.63 4.61 2.76 34.68 38.26 19.39 0.38 2.72 0.00 2.18 2.38 62 G C S 52.21 3.67 14.73 19.86 116.89 -107.78 105.81 156.70 89.78 4.80 5.42 31.92 41.08 15.84 0.79 4.97 0.00 1.58 3.81 63 G C G 48.68 2.59 14.82 18.37 121.42 13.76 81.85 -158.93 54.95 0.99 44.06 6.52 16.66 28.71 1.35 45.65 0.00 0.42 0.67 64 A C G 90.78 2.46 14.36 17.80 93.69 -33.96 -70.07 -20.33 53.57 0.29 46.14 1.72 6.13 41.67 1.01 49.17 0.00 0.14 0.16 65 L C G 85.08 8.94 14.01 23.83 96.46 53.81 -88.75 -3.57 56.07 0.77 43.16 3.04 7.79 42.39 1.54 44.42 0.01 0.39 0.43 66 G C C 29.26 9.34 17.06 27.23 109.88 -123.14 76.65 24.77 84.69 8.41 6.90 48.71 21.71 13.24 1.33 5.82 0.00 2.96 6.23 67 H C C 56.26 15.79 16.12 31.63 120.43 -46.37 -96.07 137.93 90.56 9.28 0.16 69.00 21.71 0.55 0.05 0.13 0.00 5.39 3.17 68 P C C 34.89 13.34 20.07 34.01 115.39 -106.58 -67.21 150.13 90.80 9.14 0.05 78.15 12.03 0.48 0.01 0.06 0.00 8.39 0.89 69 R E E 98.76 14.33 20.19 33.68 118.19 -130.02 -96.99 134.19 14.94 85.05 0.02 12.80 2.28 0.08 0.00 0.01 0.00 83.97 0.85 70 V E E 19.50 18.80 19.03 37.91 126.70 -172.31 -126.25 138.44 0.66 99.34 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.34 0.04 71 Y E E 73.09 12.54 24.00 36.70 117.34 -147.41 -102.04 128.99 0.67 99.33 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.02 72 I E E 8.52 23.33 17.82 41.48 120.45 -166.07 -115.02 128.24 3.68 96.31 0.00 3.33 0.15 0.01 0.00 0.00 0.00 96.36 0.14 73 N E E 48.41 8.76 24.47 34.24 108.39 -143.09 -94.44 111.70 17.10 82.81 0.10 16.06 0.69 0.09 0.02 0.05 0.00 82.51 0.57 74 L C C 16.95 22.11 14.16 36.32 96.83 -171.83 -82.06 -8.56 75.47 14.74 9.79 39.92 16.41 20.32 1.90 7.38 0.01 12.56 1.49 75 D C T 88.31 6.23 18.31 25.25 95.42 71.69 -78.81 -11.49 80.52 8.20 11.28 26.03 27.46 28.24 2.59 8.00 0.02 5.38 2.27 76 K C S 110.26 5.39 15.06 21.74 117.21 78.67 -96.93 142.58 80.22 4.75 15.03 23.62 31.56 26.12 3.92 10.02 0.12 2.67 1.96 77 E C T 132.41 4.73 14.59 20.84 102.80 -112.51 -75.47 23.59 88.69 3.55 7.75 30.30 25.68 33.21 2.28 5.21 0.02 2.08 1.22 78 T C C 57.92 9.13 13.65 23.86 124.68 86.08 -114.16 157.22 88.75 6.22 5.03 38.59 27.41 23.30 1.69 3.38 0.00 3.93 1.69 79 K C S 122.28 7.96 17.19 25.76 97.53 -132.87 -81.24 -9.10 89.96 8.90 1.14 31.20 50.46 8.26 0.23 0.94 0.00 7.82 1.08 80 T C E 62.20 10.07 18.84 29.33 125.82 46.52 -121.41 141.48 53.64 45.98 0.38 39.57 11.08 2.51 0.07 0.36 0.00 45.41 0.99 81 G E E 12.98 14.62 19.53 34.49 139.22 157.92 -154.14 172.89 13.39 86.52 0.09 11.03 2.01 0.29 0.02 0.07 0.00 85.93 0.65 82 T E E 61.24 9.66 24.44 34.50 125.85 -103.55 -118.53 142.32 3.36 96.63 0.01 3.09 0.18 0.02 0.01 0.01 0.00 90.14 6.57 83 C C C 4.78 24.65 13.71 39.23 110.03 -115.67 -76.40 127.44 79.08 20.88 0.03 79.60 0.46 0.07 0.00 0.01 0.00 18.77 1.08 84 G C T 33.79 8.89 22.41 32.15 94.07 -147.98 -69.77 -27.95 99.41 0.16 0.43 0.48 5.55 93.36 0.01 0.46 0.00 0.10 0.04 85 Y C T 96.58 11.57 20.43 31.76 100.39 43.43 -84.88 -38.08 99.59 0.06 0.35 0.10 3.24 96.32 0.00 0.28 0.00 0.02 0.02 86 C C T 36.05 13.48 18.58 32.54 102.24 17.26 -108.38 -9.75 99.61 0.12 0.26 0.34 3.57 95.75 0.01 0.25 0.00 0.06 0.02 87 G C C 27.02 9.56 21.41 31.96 95.52 -120.06 80.41 8.14 98.74 1.17 0.09 89.44 4.02 5.35 0.02 0.07 0.00 0.77 0.33 88 L C C 24.76 17.71 17.59 36.13 116.78 150.21 -75.91 140.78 92.47 7.52 0.00 92.76 0.64 0.02 0.00 0.00 0.00 6.12 0.46 89 Q E E 58.86 12.13 24.36 36.54 119.69 -142.86 -101.31 133.03 0.80 99.20 0.00 0.78 0.02 0.00 0.00 0.00 0.00 98.31 0.88 90 F E E 12.38 23.31 17.09 40.35 127.85 -170.73 -122.16 144.96 1.24 98.76 0.00 1.18 0.03 0.00 0.00 0.00 0.00 98.74 0.04 91 R E E 88.03 9.46 23.45 33.22 123.94 -148.98 -115.75 139.95 10.39 89.54 0.07 9.83 0.38 0.06 0.02 0.04 0.00 88.90 0.76 92 Q C C 51.26 16.04 13.56 29.54 113.33 -116.38 -77.41 136.20 53.93 43.51 2.55 47.30 4.08 1.89 0.40 2.23 0.00 42.69 1.41 93 Q C C 102.44 6.40 14.61 22.16 108.16 -140.82 -85.73 123.34 90.36 5.70 3.94 36.02 28.20 25.88 0.30 4.19 0.00 4.82 0.59 94 H C C 136.54 3.38 12.65 17.30 106.32 24.60 -87.41 71.67 93.80 2.44 3.76 59.45 9.21 24.80 0.38 3.79 0.00 1.79 0.58 95 H C C 100.05 9.51 11.22 21.43 108.07 112.36 -97.00 73.54 99.70 0.24 0.07 99.50 0.17 0.12 0.01 0.02 0.00 0.14 0.04