# 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 38.00 7.44 16.88 24.95 124.00 -147.47 82.64 174.79 99.62 0.37 0.01 99.50 0.18 0.06 0.00 0.00 0.00 0.24 0.03 1 V C C 72.98 11.38 11.88 23.77 119.37 -114.56 -103.91 136.55 73.61 25.85 0.54 70.55 1.59 0.75 0.19 0.28 0.00 22.19 4.45 2 R C C 135.39 5.18 15.66 22.27 120.08 -156.76 -104.45 138.03 55.47 43.69 0.84 43.64 8.86 1.94 0.29 0.71 0.00 38.37 6.18 3 T E E 68.51 9.24 11.90 22.35 122.50 -146.53 -107.71 141.86 41.53 57.70 0.77 32.66 5.47 0.69 0.53 0.37 0.01 34.71 25.56 4 S C C 33.40 9.52 10.31 21.41 123.00 -129.85 -87.60 165.80 90.11 9.39 0.50 82.33 5.87 1.60 0.13 0.39 0.00 7.05 2.62 5 P C T 116.73 2.04 12.28 15.56 91.52 -95.99 -63.98 -22.98 97.61 0.86 1.53 4.16 12.73 80.55 0.12 1.58 0.00 0.68 0.18 6 T C T 98.49 2.09 11.78 14.73 95.53 53.28 -88.89 -1.32 97.73 0.61 1.66 2.85 12.45 82.31 0.12 1.69 0.00 0.43 0.16 7 G C S 46.09 4.23 12.39 18.19 100.07 -102.43 86.73 4.54 92.59 5.79 1.63 25.77 60.19 6.78 0.20 1.56 0.00 3.54 1.96 8 E C C 92.34 6.37 12.60 20.88 116.89 138.21 -81.93 143.41 90.58 8.97 0.45 76.83 11.68 1.70 0.13 0.35 0.00 7.80 1.51 9 K E E 118.19 6.57 16.56 24.40 115.51 -123.00 -84.55 134.91 38.01 61.35 0.64 31.64 3.63 0.54 0.42 0.32 0.00 36.56 26.89 10 V C C 49.83 14.33 13.90 28.46 117.55 -145.84 -100.09 132.60 49.85 49.71 0.45 45.43 2.30 0.39 0.27 0.24 0.00 41.63 9.74 11 T C C 58.49 9.99 17.02 27.59 110.55 -173.47 -101.11 77.66 74.44 24.66 0.90 61.20 10.28 2.22 0.29 0.72 0.00 21.10 4.20 12 H C S 82.84 11.34 15.86 27.43 118.95 -54.68 -114.31 143.90 70.12 26.24 3.64 27.66 29.01 14.84 1.06 2.65 0.08 16.57 8.14 13 T C T 72.79 9.17 16.39 25.91 106.15 -96.95 -88.33 80.62 88.65 8.10 3.24 14.49 26.23 48.40 0.54 2.74 0.01 5.59 1.99 14 G C T 42.46 7.40 16.58 24.73 98.05 -48.60 84.30 0.38 90.67 7.46 1.87 22.58 30.42 38.11 0.17 1.89 0.00 5.65 1.17 15 Q C C 71.28 10.57 14.21 25.78 119.89 130.33 -98.34 142.62 75.98 23.23 0.78 61.89 11.34 1.88 0.23 0.70 0.00 16.89 7.05 16 A C C 65.20 6.37 17.51 25.14 120.92 -148.39 -108.86 138.63 66.17 33.39 0.44 60.87 3.77 0.55 0.19 0.28 0.00 22.51 11.83 17 Y C C 74.22 15.87 9.81 25.08 117.58 -126.95 -87.47 142.85 80.67 19.10 0.23 77.21 3.36 0.30 0.09 0.12 0.00 12.48 6.43 18 D C C 83.06 4.28 15.08 20.26 115.66 -128.42 -89.59 142.19 96.25 3.65 0.10 94.01 2.22 0.20 0.04 0.04 0.00 1.47 2.02 19 D C T 122.66 2.04 12.63 16.11 96.00 -104.04 -62.44 -14.57 98.88 0.33 0.79 1.30 4.03 93.71 0.15 0.49 0.00 0.18 0.13 20 G C T 56.78 1.88 13.84 16.19 95.28 44.88 -83.13 -1.66 99.28 0.14 0.58 1.74 4.11 93.52 0.10 0.40 0.00 0.08 0.04 21 D C C 41.02 10.54 9.50 21.70 108.18 118.34 -81.71 112.26 93.56 5.77 0.66 85.55 7.29 0.47 0.28 0.32 0.00 1.93 4.17 22 Y H G 117.11 7.96 13.72 23.26 93.99 -168.47 -71.48 -20.69 40.20 2.55 57.24 11.70 5.78 21.65 6.01 52.51 0.00 1.63 0.71 23 R H G 116.19 7.79 14.42 23.44 92.66 67.62 -73.65 -17.44 33.62 5.89 60.48 7.82 5.71 20.72 7.37 52.73 0.04 4.53 1.07 24 R H G 114.46 7.92 14.93 23.71 95.27 65.65 -76.97 -5.75 30.88 7.16 61.96 13.51 7.69 11.37 8.50 52.20 0.02 5.43 1.29 25 V C C 57.84 9.93 11.94 23.12 106.12 100.71 -83.75 89.79 58.00 13.74 28.26 34.79 15.62 7.81 11.69 16.32 0.11 7.85 5.82 26 R C C 135.32 5.55 14.88 21.40 98.93 -125.33 -74.48 -13.65 66.98 12.66 20.36 25.67 19.68 22.68 7.69 11.74 0.31 7.44 4.79 27 F C C 98.64 7.92 10.65 19.82 107.20 48.25 -103.51 65.57 68.19 16.73 15.08 24.75 21.06 23.73 5.02 9.02 0.49 8.39 7.54 28 S C T 70.69 4.85 10.55 16.93 107.89 153.00 -74.23 114.31 89.02 3.95 7.03 11.52 14.88 62.31 2.32 4.65 0.03 2.41 1.87 29 D C T 131.44 0.87 12.83 13.08 96.95 0.94 41.76 18.69 95.21 1.42 3.37 11.35 20.65 63.24 0.60 2.75 0.00 0.94 0.46 30 R C C 122.24 5.34 9.87 17.23 124.71 101.98 -113.03 151.26 88.86 8.99 2.15 49.98 35.40 3.78 0.69 1.46 0.00 4.15 4.55 31 Q C C 136.82 1.95 14.93 17.32 112.72 -101.89 -74.80 137.96 87.09 11.03 1.88 79.77 4.96 1.98 0.68 1.14 0.00 7.30 4.17 32 K C C 92.77 13.45 9.24 22.34 114.45 -113.14 -79.19 136.64 85.73 12.10 2.18 74.50 8.25 2.50 0.75 1.48 0.00 8.94 3.58 33 E C C 109.34 5.03 16.82 22.99 120.08 -157.20 -108.24 136.25 68.73 29.57 1.70 59.04 6.21 1.59 0.90 0.97 0.00 19.73 11.55 34 V C C 77.72 10.93 12.54 24.24 117.31 -137.78 -94.49 133.96 70.30 28.33 1.37 60.40 6.55 1.17 0.85 0.68 0.00 17.37 12.99 35 N C C 53.50 11.43 11.38 23.92 111.01 -134.22 -89.28 120.99 93.95 5.18 0.88 88.83 4.34 0.97 0.45 0.34 0.00 3.44 1.65 36 E C T 141.95 3.14 15.51 19.84 94.28 -157.61 -71.59 -18.74 89.07 0.97 9.96 11.87 17.32 60.13 6.27 3.43 0.00 0.60 0.38 37 N C T 91.89 5.70 14.72 21.54 98.67 57.36 -93.66 9.17 88.70 1.07 10.23 14.70 14.62 59.69 6.46 3.42 0.01 0.54 0.55 38 F C C 58.56 11.03 14.30 26.61 111.79 119.20 -77.42 145.32 66.85 3.33 29.82 56.12 6.23 4.25 27.34 2.74 0.00 1.14 2.17 39 A H H 33.20 13.96 15.74 29.96 94.53 -116.31 -62.87 -38.27 11.03 0.24 88.74 7.60 1.40 2.81 84.37 3.61 0.00 0.12 0.08 40 I H H 70.60 9.30 17.41 27.48 92.21 53.33 -65.37 -40.32 3.00 0.10 96.90 1.20 0.43 1.50 92.26 4.51 0.01 0.06 0.02 41 D H H 78.08 3.50 19.28 22.95 92.16 50.85 -65.59 -38.74 1.96 0.09 97.95 0.72 0.26 1.01 92.92 5.00 0.00 0.07 0.01 42 L H H 41.29 10.77 15.94 28.06 92.18 51.39 -65.21 -40.86 2.29 0.09 97.62 0.76 0.30 1.26 93.56 4.02 0.01 0.07 0.02 43 I H H 41.15 14.85 14.22 29.45 92.13 51.88 -64.71 -39.15 3.02 0.04 96.95 0.50 0.27 2.18 88.35 8.65 0.01 0.02 0.01 44 A H H 65.72 5.85 16.19 23.19 91.21 56.96 -68.51 -24.17 18.84 0.03 81.13 0.73 0.71 17.02 72.64 8.85 0.01 0.01 0.02 45 E H H 131.61 2.65 17.02 19.93 94.36 55.31 -85.16 -10.43 45.10 0.07 54.83 1.51 2.31 39.59 47.82 8.70 0.01 0.02 0.05 46 Q C S 61.27 14.20 10.52 24.69 118.26 90.41 -91.02 137.88 99.42 0.41 0.17 19.95 79.31 0.29 0.12 0.02 0.00 0.11 0.20 47 P C C 87.62 3.09 20.05 23.05 115.40 -105.01 -65.61 148.97 98.58 1.37 0.04 97.06 1.64 0.15 0.01 0.02 0.00 0.91 0.21 48 V C C 60.52 18.34 11.00 28.00 115.66 -110.10 -78.44 136.64 79.67 20.28 0.05 75.09 4.00 0.19 0.01 0.05 0.00 19.89 0.77 49 S E E 51.95 7.51 19.28 27.89 125.51 -169.61 -121.84 142.51 5.80 94.18 0.02 5.22 0.47 0.03 0.00 0.01 0.00 93.15 1.11 50 E E E 123.75 5.62 18.19 25.47 113.31 -116.27 -76.11 132.80 5.00 94.97 0.03 4.76 0.21 0.02 0.01 0.01 0.00 93.83 1.15 51 V E E 28.37 18.69 9.98 27.79 117.41 -169.40 -112.01 138.17 49.26 50.59 0.15 48.59 0.86 0.18 0.03 0.10 0.00 49.15 1.08 52 G C S 58.93 1.60 19.61 20.55 97.07 -153.84 -87.26 -12.55 83.55 15.94 0.50 34.57 39.97 8.24 0.04 0.59 0.00 15.94 0.64 53 S C S 53.09 6.55 18.29 25.93 132.02 49.69 -127.39 158.46 89.80 9.68 0.52 11.07 67.24 10.46 0.02 0.51 0.00 10.25 0.45 54 R C S 109.45 13.57 16.43 29.69 97.27 -134.99 -86.09 -11.78 80.66 19.05 0.29 28.40 48.86 2.28 0.02 0.28 0.00 19.71 0.45 55 V E E 58.64 9.67 21.67 32.35 125.55 58.15 -123.42 134.30 14.33 85.64 0.03 12.71 1.37 0.07 0.00 0.02 0.00 85.43 0.39 56 I E E 14.44 22.78 17.04 39.72 127.41 -172.02 -125.41 139.45 1.47 98.53 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.50 0.09 57 S E E 41.09 11.20 25.78 37.32 127.61 -159.78 -116.37 144.92 2.20 97.80 0.00 2.04 0.08 0.01 0.00 0.00 0.00 97.81 0.07 58 C E E 11.87 22.93 16.51 38.89 130.95 -168.30 -131.45 147.59 22.41 77.54 0.05 20.30 1.48 0.12 0.01 0.03 0.00 77.28 0.77 59 D C C 65.50 8.64 23.02 32.07 102.95 -137.29 -90.82 53.77 68.40 31.39 0.21 61.25 5.01 0.75 0.05 0.19 0.00 30.89 1.86 60 G C C 25.88 14.38 15.90 29.95 98.88 -147.94 35.47 -2.03 93.16 5.63 1.20 62.89 20.38 9.65 0.22 1.24 0.00 3.80 1.81 61 G C S 39.92 7.80 16.41 25.04 110.62 -113.26 84.50 75.27 92.60 4.35 3.05 31.12 40.19 20.98 0.39 3.02 0.00 2.06 2.25 62 G C S 52.07 3.69 14.86 19.97 116.04 -119.89 102.39 158.67 89.75 4.32 5.93 30.23 42.01 16.58 0.82 5.45 0.00 1.48 3.43 63 G C G 49.01 2.59 14.92 18.48 121.40 12.35 80.44 -156.52 55.28 0.93 43.79 6.62 16.26 29.31 1.35 45.47 0.00 0.40 0.60 64 A C G 89.54 2.71 14.49 18.26 93.80 -33.47 -70.53 -19.49 53.84 0.31 45.85 1.90 6.38 41.49 1.05 48.85 0.00 0.15 0.18 65 L C G 83.25 9.30 14.10 24.22 96.51 54.38 -88.36 -3.76 56.63 0.85 42.51 3.52 8.29 42.00 1.57 43.70 0.01 0.44 0.47 66 G C C 29.15 9.56 17.09 27.45 107.28 -118.34 76.35 16.46 85.28 7.77 6.95 49.50 22.27 12.39 1.30 5.97 0.00 2.73 5.84 67 H C C 56.00 15.76 16.33 31.83 120.22 130.13 -96.03 139.49 91.45 8.39 0.16 68.04 23.58 0.56 0.04 0.13 0.00 4.76 2.88 68 P C C 35.31 13.45 20.28 34.27 115.33 -104.34 -67.27 149.77 91.73 8.22 0.06 78.25 12.86 0.51 0.01 0.06 0.00 7.49 0.82 69 R E E 96.59 14.61 20.18 33.94 117.99 -130.05 -97.39 134.29 14.73 85.25 0.02 12.49 2.49 0.09 0.00 0.01 0.00 84.05 0.85 70 V E E 19.62 18.83 19.30 38.20 126.02 -171.53 -125.48 137.05 0.64 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.36 0.03 71 Y E E 71.62 12.76 24.01 36.94 117.64 -147.32 -102.77 129.32 0.65 99.35 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.40 0.02 72 I E E 8.34 23.37 17.99 41.69 120.22 -165.96 -115.26 127.95 3.53 96.47 0.00 3.19 0.15 0.01 0.00 0.00 0.00 96.52 0.14 73 N E E 49.38 8.74 24.78 34.49 108.36 -143.17 -93.70 111.62 16.01 83.90 0.09 14.99 0.67 0.09 0.02 0.05 0.00 83.63 0.54 74 L C C 14.52 22.71 14.20 37.07 97.00 -172.14 -81.86 -9.28 74.53 15.29 10.18 40.03 16.47 19.34 1.91 7.75 0.01 12.96 1.54 75 D C S 86.46 6.67 18.59 25.94 94.93 72.41 -78.54 -12.38 79.75 8.78 11.47 25.79 27.83 27.45 2.47 8.22 0.03 5.68 2.52 76 K C S 111.71 5.09 15.87 22.15 117.62 74.75 -98.44 140.25 80.09 5.30 14.62 23.73 31.78 25.90 3.39 9.99 0.07 3.06 2.08 77 E C C 128.01 5.57 14.65 21.72 104.58 -112.53 -75.43 74.87 88.91 3.98 7.10 32.87 25.09 31.50 1.97 4.87 0.01 2.36 1.32 78 T C C 54.19 9.43 13.87 24.40 127.61 102.91 -119.85 158.43 89.09 6.70 4.21 41.26 27.34 21.04 1.21 3.03 0.00 4.16 1.96 79 K C S 127.69 7.20 17.55 25.50 96.44 -129.80 -79.11 -12.48 90.90 8.16 0.94 27.80 54.31 8.74 0.16 0.81 0.00 7.24 0.95 80 T C E 62.92 9.66 19.13 29.26 126.00 44.99 -124.14 141.93 53.55 46.10 0.35 37.30 13.10 3.03 0.05 0.35 0.00 45.17 0.99 81 G E E 12.51 15.06 19.30 34.62 138.23 156.41 -154.13 171.21 13.84 86.08 0.07 11.42 2.05 0.28 0.01 0.06 0.00 85.54 0.63 82 T E E 60.27 9.75 24.74 34.89 125.66 -108.07 -119.67 141.78 3.24 96.75 0.01 3.00 0.17 0.01 0.01 0.01 0.00 89.71 7.09 83 C C C 4.41 24.86 13.89 39.69 109.91 -116.06 -76.78 127.15 79.33 20.64 0.03 79.97 0.44 0.06 0.00 0.01 0.00 18.41 1.10 84 G C T 32.94 9.21 22.66 32.70 94.10 -147.57 -69.55 -27.70 99.45 0.15 0.40 0.43 5.21 93.81 0.01 0.42 0.00 0.09 0.03 85 Y C T 95.03 11.81 20.69 32.19 100.18 42.61 -85.09 -38.65 99.62 0.06 0.33 0.09 3.10 96.51 0.00 0.26 0.00 0.02 0.01 86 C C T 35.06 13.72 18.82 32.99 102.13 17.21 -108.38 -10.07 99.65 0.09 0.25 0.29 3.45 95.96 0.01 0.24 0.00 0.04 0.02 87 G C C 26.14 9.89 21.51 32.36 95.35 -120.08 80.06 8.72 98.90 1.02 0.08 89.83 3.85 5.31 0.01 0.07 0.00 0.65 0.29 88 L C C 24.31 17.67 17.95 36.44 116.74 150.44 -75.41 141.25 92.92 7.07 0.00 93.29 0.61 0.02 0.00 0.00 0.00 5.62 0.46 89 Q E E 57.36 12.60 24.35 36.96 119.41 -140.88 -100.72 133.21 0.70 99.30 0.00 0.69 0.02 0.00 0.00 0.00 0.00 98.33 0.96 90 F E E 11.85 23.32 17.66 40.99 127.37 -169.97 -120.85 144.33 1.14 98.86 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.86 0.03 91 R E E 87.89 10.11 23.30 33.67 124.05 -154.34 -114.89 139.63 9.46 90.53 0.01 9.13 0.27 0.02 0.00 0.01 0.00 88.90 1.66 92 Q C C 41.29 16.10 13.52 29.86 114.19 -117.68 -78.33 137.39 77.86 21.56 0.58 75.37 2.03 0.50 0.07 0.55 0.00 20.62 0.86 93 P C T 81.80 6.15 14.89 22.38 97.01 -126.01 -66.46 -26.26 92.80 3.19 4.01 24.66 20.71 46.94 0.20 4.60 0.00 2.50 0.39 94 H C T 135.82 3.10 13.34 17.46 101.79 53.61 -86.39 14.45 95.24 1.48 3.28 41.00 9.47 44.68 0.25 3.25 0.00 1.01 0.35 95 H C C 88.92 11.48 10.92 22.65 108.28 97.95 -93.69 52.17 99.58 0.34 0.09 99.28 0.26 0.16 0.01 0.04 0.00 0.20 0.06