# 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 S C C 76.43 4.14 12.53 18.20 116.47 -159.64 -95.77 146.18 99.88 0.10 0.02 99.78 0.11 0.04 0.01 0.00 0.00 0.04 0.01 1 S C C 79.07 4.11 9.88 15.76 113.51 -160.46 -98.42 127.99 84.44 4.83 10.74 76.47 2.36 6.51 5.32 4.20 0.00 2.84 2.30 2 S C C 77.17 3.63 9.42 14.80 111.70 -155.18 -93.09 123.22 76.78 8.11 15.10 49.07 14.66 13.23 6.68 8.30 0.01 5.07 2.98 3 R C C 157.66 3.86 9.74 15.31 108.40 -156.35 -91.70 87.80 72.09 8.80 19.11 39.36 17.16 16.54 8.76 9.66 0.05 5.21 3.27 4 N C C 107.22 4.04 11.49 17.01 107.37 129.32 -92.90 68.35 77.59 5.38 17.03 33.46 21.94 23.57 7.60 8.34 0.04 2.95 2.11 5 G C C 45.37 6.01 11.81 19.08 105.39 -96.56 78.45 5.75 83.35 3.86 12.79 37.98 24.38 21.91 6.02 6.11 0.01 2.03 1.54 6 R C C 133.25 5.68 12.07 19.32 115.65 127.34 -92.87 136.27 72.72 7.89 19.39 48.00 14.60 10.00 12.55 6.91 0.03 4.12 3.79 7 D C C 91.42 5.82 12.25 19.45 109.53 -132.29 -87.99 117.10 71.08 4.92 24.00 48.51 12.07 10.44 15.07 9.08 0.01 2.83 1.98 8 S C C 67.68 6.58 12.35 20.15 104.83 -164.86 -86.26 24.51 59.69 2.76 37.55 30.70 13.14 16.88 19.25 17.34 0.05 1.45 1.19 9 A C C 72.12 5.10 14.62 20.72 100.67 71.23 -82.98 0.11 56.04 2.48 41.48 24.56 13.36 19.26 19.17 21.17 0.09 1.27 1.12 10 A C C 47.35 11.11 13.28 25.02 112.23 103.54 -84.21 135.15 55.52 3.77 40.71 30.29 12.08 14.20 16.59 23.33 0.05 2.16 1.31 11 Q C C 93.63 8.90 17.44 26.89 112.31 -148.92 -94.30 123.28 62.11 9.79 28.10 37.51 14.46 11.53 11.05 16.23 0.05 7.06 2.11 12 R C C 105.50 12.16 18.77 30.64 120.72 -149.45 -103.18 136.45 59.93 27.08 12.99 41.95 11.50 7.13 5.27 7.63 0.04 22.74 3.76 13 L C E 46.17 16.83 18.76 35.09 120.80 -156.73 -105.27 140.43 52.25 45.91 1.84 42.70 7.17 1.91 0.81 1.00 0.00 44.22 2.18 14 G E E 13.37 14.50 22.63 36.94 142.32 116.37 142.13 -172.02 23.54 75.50 0.96 17.93 4.96 1.35 0.39 0.56 0.00 73.67 1.14 15 V E E 31.01 19.86 17.65 36.96 119.07 -67.66 -99.57 133.87 11.82 85.62 2.57 9.61 1.57 0.88 1.78 0.78 0.01 84.50 0.87 16 K E E 102.30 8.88 21.64 30.81 99.89 -173.27 -94.10 -27.38 15.65 81.50 2.85 9.45 4.30 2.27 1.72 1.04 0.00 80.60 0.62 17 R E E 91.95 10.23 19.81 30.53 133.23 14.89 -140.00 144.44 22.07 74.35 3.58 18.44 2.22 1.42 1.91 1.62 0.01 72.80 1.59 18 F C C 77.96 13.97 15.51 29.50 126.11 -168.51 -123.82 138.30 56.48 35.36 8.16 48.61 4.30 3.27 1.27 6.75 0.00 33.61 2.20 19 G C T 44.04 7.29 16.65 24.82 100.23 -5.92 58.64 57.17 88.25 3.24 8.51 0.97 5.43 82.90 0.66 7.50 0.00 2.27 0.26 20 G C T 50.71 4.82 17.02 22.74 95.86 -19.76 82.49 0.15 91.15 1.17 7.67 1.79 7.40 81.97 0.28 7.42 0.00 1.05 0.09 21 Q C C 81.90 8.35 16.01 25.75 120.46 129.45 -85.97 147.04 88.75 11.18 0.07 75.45 12.38 0.35 0.01 0.09 0.00 11.31 0.41 22 V E E 86.81 7.43 20.50 28.77 116.01 -124.70 -89.95 132.49 9.24 90.76 0.00 9.29 0.20 0.01 0.00 0.00 0.00 87.08 3.41 23 V E E 10.57 23.02 12.16 35.01 125.72 -170.59 -120.59 142.95 2.35 97.65 0.00 2.58 0.02 0.00 0.00 0.00 0.00 94.35 3.05 24 K C C 118.48 3.18 23.90 26.88 121.47 -134.90 -90.56 151.60 62.19 37.81 0.01 63.58 0.36 0.02 0.00 0.00 0.00 34.96 1.07 25 A C T 53.07 12.96 14.64 27.87 109.54 -84.99 -59.19 134.41 99.39 0.51 0.10 0.07 1.25 98.35 0.00 0.06 0.00 0.24 0.03 26 G C T 40.81 5.77 20.47 27.16 95.88 24.24 89.71 -5.96 99.78 0.16 0.06 0.13 1.66 98.05 0.00 0.05 0.00 0.10 0.01 27 E C C 72.76 10.14 20.44 31.25 118.22 122.98 -79.16 143.44 90.72 9.23 0.04 86.34 3.91 0.11 0.00 0.04 0.00 9.19 0.41 28 I E E 45.21 16.87 20.96 37.44 110.85 -115.19 -78.70 124.82 4.83 95.16 0.01 4.99 0.12 0.01 0.00 0.00 0.00 93.91 0.96 29 L E E 8.69 22.97 22.09 44.85 100.64 176.71 -93.73 -32.84 3.01 96.99 0.01 1.88 1.03 0.08 0.00 0.01 0.00 96.95 0.04 30 V E E 7.06 22.78 22.36 44.98 136.49 4.61 -147.87 145.82 1.67 98.29 0.04 1.28 0.30 0.11 0.01 0.04 0.00 98.19 0.07 31 R E E 83.47 13.18 24.28 36.91 123.12 -159.12 -119.58 132.59 5.96 93.98 0.06 5.00 0.68 0.16 0.01 0.05 0.00 93.87 0.22 32 Q E E 42.88 18.13 16.38 33.87 115.35 -142.35 -92.36 126.76 29.95 69.70 0.35 24.01 4.40 1.11 0.07 0.32 0.00 69.24 0.85 33 R C C 123.41 7.55 17.95 26.38 115.55 -172.99 -107.21 121.48 73.41 25.74 0.85 48.29 17.75 7.12 0.12 0.90 0.00 24.37 1.46 34 G C S 37.63 6.03 16.96 23.93 124.48 13.44 110.87 -173.20 90.95 8.25 0.80 32.30 45.55 13.16 0.07 0.91 0.00 7.13 0.88 35 T C C 87.69 7.00 14.91 23.09 105.12 -70.47 -94.10 7.55 90.28 8.42 1.30 46.38 35.05 9.28 0.14 1.43 0.00 6.46 1.27 36 H C C 125.62 4.69 18.58 23.93 103.62 66.33 -90.76 16.78 84.49 14.46 1.05 51.51 26.47 6.75 0.15 1.12 0.00 12.04 1.96 37 F C C 45.75 19.63 11.97 30.66 118.09 100.33 -101.30 131.07 66.70 32.76 0.54 53.96 11.07 1.36 0.19 0.44 0.00 20.95 12.04 38 H C C 103.67 6.23 21.92 28.79 115.91 -165.87 -110.04 118.43 84.63 15.29 0.09 79.60 4.92 0.29 0.02 0.07 0.00 12.73 2.36 39 P C C 59.04 15.16 14.56 29.27 112.95 -123.96 -68.36 143.10 89.21 9.61 1.18 61.64 14.64 12.84 0.21 1.07 0.00 7.68 1.92 40 G C C 28.28 9.86 16.92 27.38 132.69 136.89 -86.20 -167.21 92.47 6.02 1.51 48.48 27.24 16.87 0.18 1.62 0.00 3.17 2.44 41 V C T 112.86 2.82 20.24 23.25 102.60 -56.58 -72.56 36.72 94.98 3.68 1.33 2.45 23.76 69.13 0.07 1.34 0.00 2.56 0.70 42 N C T 54.97 14.04 17.40 31.18 96.66 41.66 -92.12 4.75 94.36 5.13 0.51 5.31 20.29 68.49 0.02 0.63 0.00 4.98 0.27 43 V E E 19.95 21.60 14.03 35.18 125.96 88.05 -110.40 139.87 16.39 83.58 0.04 13.81 1.99 0.12 0.01 0.02 0.00 83.44 0.61 44 G E E 23.32 7.83 23.65 32.13 141.24 168.20 -149.72 175.51 0.97 99.03 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.03 0.06 45 R E E 125.46 10.32 17.02 28.21 122.28 -105.91 -110.34 138.47 1.77 98.23 0.00 1.74 0.05 0.00 0.00 0.00 0.00 97.83 0.37 46 G C C 22.57 11.82 12.06 24.65 125.94 -153.50 -96.49 174.30 80.97 18.96 0.07 78.63 1.29 0.20 0.01 0.05 0.00 19.29 0.52 47 G C T 62.82 1.02 15.63 15.86 95.05 -86.86 -63.02 -31.58 92.72 2.90 4.38 1.99 16.98 73.07 0.08 5.31 0.00 2.12 0.45 48 D C T 102.11 3.12 15.89 19.61 96.63 44.62 -89.88 8.61 96.02 0.22 3.77 0.89 12.11 81.87 0.04 4.90 0.00 0.13 0.06 49 D C S 61.37 12.42 15.60 28.27 94.59 -103.96 71.87 22.23 94.48 1.58 3.93 9.85 48.98 34.57 0.11 5.05 0.00 1.16 0.27 50 T E E 24.34 12.73 20.19 34.25 122.06 135.59 -92.29 145.28 45.27 54.71 0.02 44.29 1.04 0.06 0.00 0.01 0.00 53.72 0.88 51 L E E 4.59 24.78 19.41 44.95 115.71 -131.65 -94.08 132.10 0.25 99.75 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.72 0.02 52 F E E 44.60 12.81 27.11 40.41 127.43 -170.94 -123.15 143.49 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.01 53 A E E 5.99 23.80 15.76 40.16 111.65 -117.24 -77.53 128.86 3.96 96.04 0.00 4.10 0.05 0.00 0.00 0.00 0.00 95.53 0.31 54 L C S 76.14 7.59 23.53 32.00 96.42 -164.63 -87.78 -20.97 93.13 6.83 0.04 22.28 69.22 1.22 0.00 0.05 0.00 7.03 0.20 55 A C S 40.66 6.65 22.87 30.24 136.80 19.94 -140.42 160.47 94.90 5.06 0.04 1.99 91.35 2.05 0.00 0.03 0.00 4.38 0.20 56 P C C 72.00 7.66 21.39 29.54 114.40 -86.23 -64.46 144.02 94.87 5.05 0.08 50.98 40.59 2.82 0.00 0.12 0.00 5.29 0.20 57 G E E 10.15 11.80 20.74 34.43 143.90 98.69 166.14 -172.72 13.14 86.85 0.01 10.66 2.21 0.11 0.00 0.01 0.00 86.57 0.43 58 A E E 30.69 10.26 25.08 36.49 127.38 -68.66 -120.59 145.66 0.76 99.24 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.25 0.04 59 V E E 7.11 24.81 16.35 41.68 117.74 -137.55 -99.62 129.17 0.28 99.72 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 60 E E E 69.92 9.38 24.95 34.54 122.14 -166.93 -116.39 136.03 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 61 F E E 55.95 18.23 15.95 33.41 124.85 -157.95 -111.60 139.71 1.16 98.84 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.93 0.02 62 G E E 20.32 6.77 19.58 27.94 141.25 135.54 -159.64 -173.73 2.65 97.34 0.01 2.03 0.34 0.05 0.00 0.01 0.00 97.54 0.03 63 A E E 65.10 6.68 13.63 22.14 123.26 -91.98 -116.66 138.15 5.36 94.60 0.04 4.24 0.67 0.10 0.01 0.03 0.00 94.87 0.08 64 K E E 105.16 6.25 9.95 18.24 121.97 173.85 -134.15 126.74 12.75 87.01 0.24 8.55 2.96 1.28 0.04 0.21 0.00 86.51 0.46 65 R C T 206.18 0.42 11.72 10.79 93.93 -13.35 51.91 42.22 98.66 0.86 0.47 2.50 7.10 89.12 0.03 0.45 0.00 0.74 0.08 66 G C T 66.03 0.71 11.27 11.58 95.22 -47.47 78.58 2.35 99.46 0.23 0.32 1.81 7.10 90.54 0.01 0.33 0.00 0.18 0.02 67 R E E 131.10 3.69 11.87 17.62 124.79 104.34 -112.96 142.98 11.66 88.30 0.04 7.52 3.57 0.54 0.00 0.03 0.00 87.99 0.33 68 K E E 101.27 9.39 12.74 23.36 114.68 -126.14 -86.02 131.71 4.80 95.19 0.00 4.12 0.21 0.02 0.00 0.00 0.00 95.63 0.03 69 T E E 40.89 9.91 17.71 29.21 128.26 -175.56 -125.77 146.49 1.54 98.46 0.00 1.34 0.05 0.00 0.00 0.00 0.00 98.59 0.02 70 V E E 32.47 18.64 15.35 33.89 122.10 -156.25 -117.44 131.83 0.82 99.18 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.01 71 N E E 60.48 8.73 23.58 32.71 126.60 -170.96 -121.88 143.55 1.41 98.59 0.00 1.17 0.07 0.00 0.00 0.00 0.00 98.74 0.01 72 I E E 38.64 19.55 15.99 35.26 118.83 -146.53 -107.40 128.27 2.79 97.21 0.00 2.49 0.15 0.01 0.00 0.00 0.00 97.26 0.09 73 V E E 44.64 10.18 19.51 31.01 121.88 -169.84 -119.55 131.58 9.61 90.39 0.01 8.91 0.42 0.01 0.00 0.00 0.00 90.37 0.28 74 P E E 71.25 8.18 18.30 27.16 114.14 -112.84 -67.62 145.34 24.12 75.78 0.10 21.16 1.99 0.28 0.02 0.08 0.00 75.86 0.63 75 V C C 60.07 13.57 11.75 25.37 112.10 -122.31 -83.68 131.47 81.78 17.03 1.19 59.26 17.05 5.14 0.17 1.25 0.00 15.64 1.50 76 A C C 68.46 5.08 12.56 19.19 115.07 -130.99 -87.68 141.07 91.18 8.11 0.70 62.31 23.70 5.35 0.10 0.85 0.00 5.92 1.78 77 R C C 168.83 2.75 11.49 16.13 115.86 -114.08 -91.30 134.16 98.77 1.21 0.02 97.63 1.29 0.12 0.00 0.01 0.00 0.74 0.20 78 P C C 92.28 4.86 12.24 18.78 111.83 -71.63 -67.00 146.33 99.97 0.03 0.00 99.90 0.07 0.02 0.00 0.00 0.00 0.01 0.00