# 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 A C C 71.79 5.66 11.93 18.99 113.19 -145.31 -84.75 136.62 99.89 0.09 0.02 99.81 0.08 0.04 0.01 0.00 0.00 0.04 0.01 1 S C C 82.16 3.27 9.89 15.06 115.89 -147.03 -99.96 136.14 88.80 7.95 3.25 82.54 2.35 4.11 1.45 1.35 0.00 5.46 2.75 2 K C C 143.02 3.33 9.29 14.58 114.95 -145.80 -96.20 129.98 79.44 15.14 5.43 55.68 15.82 7.65 2.38 3.15 0.01 10.00 5.32 3 K C C 146.72 3.02 10.40 15.30 113.66 -139.16 -87.45 134.49 81.01 12.18 6.81 47.51 18.09 15.73 2.45 4.24 0.01 9.10 2.87 4 G C C 48.39 5.21 10.92 17.59 113.93 -125.74 -95.11 151.10 84.08 9.35 6.57 48.90 20.22 15.51 2.42 3.99 0.01 6.37 2.59 5 V C C 95.31 5.56 10.98 18.11 113.77 -133.56 -95.30 131.58 76.54 10.05 13.41 47.44 17.71 11.70 7.17 6.20 0.02 6.10 3.66 6 S C C 69.43 5.53 11.76 18.64 112.76 -134.65 -88.12 144.50 72.26 7.96 19.79 38.85 18.63 15.59 9.89 9.54 0.04 4.80 2.66 7 S C C 73.96 5.12 12.10 18.65 106.77 -140.44 -89.84 52.92 66.85 10.06 23.09 39.56 15.34 12.32 11.72 11.30 0.06 6.31 3.39 8 T C C 78.60 6.15 11.21 18.79 108.20 87.30 -91.40 65.75 66.33 11.40 22.27 40.13 15.23 11.20 12.33 10.00 0.06 7.20 3.86 9 K C C 138.17 3.91 12.09 17.48 102.74 59.00 -85.50 8.72 67.87 9.52 22.61 30.56 17.67 21.13 11.96 9.55 0.12 5.58 3.42 10 N C T 102.19 4.85 12.76 18.83 102.53 47.76 -90.11 25.59 80.72 4.07 15.22 24.73 22.36 34.69 6.96 7.26 0.04 2.30 1.66 11 G C C 44.25 6.09 13.00 20.31 101.99 -94.76 82.66 5.97 87.51 4.17 8.32 36.40 25.89 26.16 2.65 5.07 0.01 2.25 1.56 12 R C C 118.46 7.20 12.74 21.37 117.27 128.04 -92.68 141.17 77.34 10.45 12.20 51.67 15.79 9.37 6.23 6.16 0.02 5.41 5.35 13 D C C 82.26 7.30 13.42 21.86 110.80 -127.73 -86.72 125.32 77.65 6.40 15.96 55.06 12.51 9.76 7.77 8.44 0.01 3.84 2.60 14 S C C 62.85 7.87 13.11 21.97 100.56 -160.54 -80.66 -10.05 60.42 3.62 35.97 32.65 13.32 15.30 12.51 22.76 0.03 1.98 1.45 15 E C G 123.63 4.79 15.75 21.38 99.20 71.91 -78.52 -15.38 54.96 3.58 41.47 21.53 14.15 20.81 13.63 26.38 0.13 1.94 1.44 16 S C C 49.35 10.40 14.01 25.16 105.22 79.40 -82.77 61.94 56.08 4.34 39.57 28.53 13.34 15.76 11.81 26.53 0.05 2.52 1.47 17 K C C 99.00 10.35 16.75 27.38 106.50 70.92 -93.43 30.83 66.07 11.90 22.03 41.80 15.78 9.45 8.05 13.64 0.03 8.75 2.50 18 R C C 103.91 11.55 19.09 30.60 120.54 87.44 -105.07 137.13 57.37 36.53 6.10 43.75 9.14 4.02 3.01 3.41 0.02 30.90 5.74 19 L E E 48.28 16.81 18.39 34.67 121.02 -151.76 -103.35 140.73 43.38 55.61 1.01 35.58 6.07 1.35 0.42 0.61 0.00 53.31 2.66 20 G E E 15.73 14.55 21.86 36.03 140.02 128.53 -134.86 172.46 22.59 76.73 0.68 18.05 4.28 1.06 0.25 0.43 0.00 74.55 1.38 21 A E E 24.69 19.44 17.84 36.50 124.40 -93.99 -109.05 143.06 15.33 83.72 0.96 13.14 1.87 0.61 0.49 0.46 0.00 82.40 1.04 22 K E E 105.22 9.28 22.03 31.65 118.04 -154.04 -106.30 131.85 13.83 84.55 1.62 10.29 2.89 1.17 0.86 0.71 0.01 82.73 1.34 23 R E E 86.23 14.25 16.60 30.49 125.25 -149.69 -116.33 141.03 34.28 64.12 1.59 31.29 2.21 0.86 0.76 0.83 0.00 60.37 3.67 24 A C C 45.35 9.07 16.90 26.78 120.21 -140.79 -89.29 155.92 83.89 9.13 6.98 80.30 2.04 1.81 0.45 6.39 0.00 8.11 0.89 25 D C T 106.32 4.69 15.37 21.37 105.87 -54.09 -55.89 121.70 90.91 1.38 7.71 0.62 4.99 85.86 0.12 7.37 0.00 0.90 0.14 26 G C T 51.41 3.87 16.38 21.11 95.08 1.52 84.14 -2.53 92.37 0.70 6.92 1.18 5.88 85.24 0.07 7.02 0.00 0.56 0.06 27 Q C C 81.21 8.02 15.57 25.14 121.28 127.33 -89.00 148.09 88.23 11.74 0.03 81.72 5.97 0.13 0.00 0.03 0.00 11.81 0.34 28 F E E 112.60 8.19 20.59 29.45 116.49 -125.80 -90.62 134.93 4.98 95.02 0.00 5.08 0.12 0.00 0.00 0.00 0.00 93.59 1.20 29 V E E 9.84 23.43 12.99 36.46 124.23 -165.20 -117.36 140.05 1.09 98.91 0.00 1.19 0.01 0.00 0.00 0.00 0.00 97.50 1.30 30 T C C 72.45 4.74 24.61 29.60 125.35 -148.91 -103.23 153.02 57.79 42.20 0.01 58.24 0.45 0.03 0.00 0.00 0.00 40.41 0.86 31 G C T 32.88 13.54 16.28 29.65 109.05 -83.22 -58.97 135.32 98.93 0.91 0.17 0.12 2.41 96.83 0.00 0.10 0.00 0.48 0.06 32 G C T 38.63 6.94 21.31 28.97 96.89 23.41 88.26 -5.27 99.49 0.39 0.11 0.28 3.25 96.06 0.00 0.09 0.00 0.29 0.02 33 S C C 33.61 12.12 20.47 33.25 118.06 123.63 -77.83 146.33 87.36 12.59 0.05 83.54 3.42 0.12 0.01 0.05 0.00 12.26 0.59 34 I E E 41.84 17.46 21.51 38.48 111.02 -119.29 -80.33 123.75 3.68 96.32 0.01 3.71 0.10 0.01 0.00 0.00 0.00 95.08 1.10 35 L E E 9.71 23.07 22.25 45.02 101.10 176.73 -93.65 -32.97 2.85 97.15 0.00 1.85 0.92 0.04 0.00 0.00 0.00 97.16 0.04 36 Y E E 22.03 19.76 24.06 43.26 141.54 1.98 -154.60 150.79 2.45 97.53 0.01 1.94 0.36 0.04 0.00 0.01 0.00 97.53 0.11 37 R E E 77.82 15.51 21.75 36.30 123.86 -156.92 -119.07 133.63 14.12 85.77 0.12 12.44 1.26 0.18 0.03 0.07 0.00 85.58 0.45 38 Q C E 53.32 15.26 16.97 32.13 115.17 -140.66 -92.62 128.73 57.59 41.24 1.18 37.48 15.52 5.23 0.18 1.11 0.00 39.20 1.28 39 R C S 131.28 7.80 16.95 25.65 110.77 -143.28 -82.05 128.83 78.08 20.15 1.77 27.20 27.24 24.59 0.19 1.77 0.00 17.31 1.70 40 G C C 47.39 4.46 17.33 22.51 105.71 16.95 88.81 -8.39 89.80 9.24 0.96 33.55 32.51 23.92 0.08 1.15 0.00 7.98 0.82 41 T C C 55.70 12.88 12.86 26.09 118.31 116.25 -95.37 137.12 83.74 15.48 0.78 65.68 14.90 2.77 0.12 0.80 0.00 14.05 1.67 42 K C C 133.48 4.51 20.78 25.99 113.44 -136.16 -93.32 121.48 68.20 31.42 0.38 54.43 11.26 1.64 0.08 0.40 0.00 28.78 3.41 43 I E C 26.35 21.37 12.19 32.90 120.10 -157.70 -108.97 133.90 48.35 51.42 0.23 41.51 5.35 0.42 0.11 0.16 0.00 36.20 16.25 44 Y C C 119.28 5.98 22.29 28.72 117.41 -150.81 -104.31 128.82 84.71 15.22 0.07 81.35 3.44 0.25 0.02 0.05 0.00 13.29 1.60 45 P C T 62.62 14.00 14.41 28.22 112.29 -109.39 -64.53 140.58 88.28 9.93 1.79 28.85 20.28 39.61 0.22 1.78 0.00 7.75 1.49 46 G C T 36.51 6.79 18.15 25.98 125.67 48.33 100.08 -167.18 91.47 6.03 2.50 18.26 31.36 42.11 0.24 2.56 0.00 3.87 1.60 47 E C T 134.59 3.08 20.52 23.77 101.15 -35.34 -76.98 -15.74 92.79 4.85 2.36 4.25 34.38 54.78 0.13 2.21 0.00 3.22 1.02 48 N C T 52.48 14.80 17.46 31.80 99.13 35.65 -94.01 5.39 89.91 9.36 0.73 10.24 25.63 53.83 0.04 0.87 0.00 8.93 0.46 49 V E E 17.97 22.08 14.20 35.83 125.46 90.83 -111.34 139.28 13.66 86.31 0.02 11.78 1.26 0.08 0.01 0.01 0.00 86.44 0.42 50 G E E 22.41 8.31 23.89 32.85 140.76 167.57 -150.45 175.53 0.72 99.28 0.00 0.63 0.03 0.00 0.00 0.00 0.00 99.29 0.04 51 R E E 120.67 11.11 17.01 28.80 123.66 -108.70 -114.17 139.69 1.31 98.69 0.00 1.30 0.04 0.00 0.00 0.00 0.00 98.33 0.32 52 G C C 21.80 12.03 12.43 25.22 125.31 -146.26 -90.05 177.06 80.32 19.62 0.06 78.10 1.24 0.18 0.01 0.04 0.00 19.91 0.52 53 G C T 62.40 1.11 16.10 16.50 93.94 -87.31 -62.42 -29.37 94.36 1.94 3.70 1.74 15.70 76.20 0.07 4.53 0.00 1.43 0.33 54 D C T 98.73 3.71 16.01 20.44 95.96 47.67 -90.22 8.87 96.62 0.20 3.18 0.78 11.57 83.37 0.04 4.06 0.00 0.12 0.06 55 D C S 60.94 12.30 16.03 28.62 94.96 -104.82 72.22 21.91 95.22 1.59 3.20 11.18 54.45 28.59 0.10 4.18 0.00 1.20 0.30 56 T C C 22.14 13.64 20.13 34.99 122.01 135.09 -92.22 144.90 54.90 45.08 0.02 53.78 1.07 0.09 0.00 0.02 0.00 44.34 0.70 57 L E E 3.99 24.97 19.52 45.39 115.96 -127.16 -92.55 132.91 0.27 99.73 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.70 0.03 58 F E E 45.28 12.62 27.09 40.24 126.87 -169.87 -121.88 141.83 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.01 59 A E E 5.15 23.99 15.03 39.75 112.40 -115.37 -77.15 133.37 7.05 92.95 0.00 7.27 0.08 0.00 0.00 0.00 0.00 92.34 0.31 60 K C S 103.79 6.33 23.50 30.60 95.69 -163.09 -87.51 -17.47 93.59 6.31 0.10 16.73 69.03 7.45 0.00 0.13 0.00 6.42 0.23 61 I C S 62.45 7.45 21.68 30.03 135.62 32.09 -136.18 158.30 93.00 6.87 0.13 2.36 83.84 6.96 0.00 0.12 0.00 6.40 0.31 62 D C C 82.45 7.26 21.86 29.61 113.13 -95.49 -67.80 139.32 92.97 6.92 0.10 54.16 34.35 3.85 0.00 0.15 0.00 7.26 0.24 63 G E E 9.99 10.98 20.99 34.10 143.40 92.18 166.28 -171.58 15.76 84.23 0.01 14.01 1.64 0.07 0.00 0.01 0.00 83.74 0.53 64 V E E 40.56 10.36 24.76 36.46 123.55 -66.71 -116.13 138.13 0.53 99.47 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.44 0.05 65 V E E 4.31 25.70 16.53 43.15 117.96 -149.82 -102.82 130.29 0.34 99.66 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.00 66 K E E 68.24 9.34 26.35 36.09 123.24 -168.89 -119.57 135.45 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 67 F E E 24.87 22.10 15.30 37.04 123.36 -160.01 -112.86 137.15 0.96 99.04 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.09 0.03 68 E E E 82.45 6.49 21.26 28.42 127.26 -174.14 -126.62 142.79 1.46 98.53 0.00 1.26 0.07 0.01 0.00 0.00 0.00 98.62 0.04 69 R E E 115.58 10.02 12.46 23.46 114.29 -126.70 -90.91 127.21 9.48 90.48 0.04 8.28 0.74 0.10 0.00 0.03 0.00 90.58 0.27 70 K E E 113.09 5.07 12.48 19.08 106.76 -175.91 -106.35 13.37 46.58 53.01 0.40 33.37 8.89 3.19 0.05 0.42 0.00 53.57 0.52 71 G C S 45.00 2.08 13.06 15.59 129.28 -45.28 138.36 -170.20 70.36 27.63 2.01 13.72 29.57 28.79 0.13 2.06 0.00 24.44 1.29 72 R C T 193.74 0.92 11.14 11.99 100.21 -37.59 -67.77 -21.09 97.16 0.59 2.25 5.01 29.46 62.38 0.10 2.49 0.00 0.38 0.18 73 D C T 122.71 1.71 11.45 13.92 98.51 1.99 -93.29 14.48 96.56 1.40 2.04 7.20 33.33 55.86 0.09 2.25 0.00 1.00 0.27 74 K E E 100.33 6.01 12.74 20.52 122.06 98.63 -114.49 137.47 48.50 51.10 0.40 36.34 9.04 2.56 0.05 0.41 0.00 50.60 0.99 75 K E E 72.11 12.89 13.00 26.59 125.51 -169.87 -118.79 142.03 22.12 77.85 0.03 20.37 0.88 0.10 0.00 0.02 0.00 78.40 0.23 76 Q E E 64.01 9.74 21.01 31.54 126.88 -164.61 -122.05 143.68 2.87 97.13 0.00 2.50 0.17 0.01 0.00 0.00 0.00 97.23 0.07 77 V E E 18.59 20.94 16.85 37.81 124.03 -160.17 -119.52 135.26 0.94 99.06 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.09 0.02 78 S E E 26.30 10.58 24.72 36.18 130.18 -169.64 -123.13 149.82 1.32 98.67 0.00 1.16 0.05 0.00 0.00 0.00 0.00 98.76 0.02 79 V E E 21.13 21.49 16.95 38.33 121.55 -150.81 -115.64 131.63 2.47 97.53 0.00 2.21 0.13 0.01 0.00 0.00 0.00 97.58 0.08 80 Y E E 77.79 9.95 21.58 32.16 125.21 -172.03 -124.01 137.37 6.64 93.34 0.02 5.85 0.50 0.05 0.01 0.01 0.00 93.35 0.22 81 A E E 53.73 9.51 18.09 28.02 114.16 -110.39 -69.74 143.98 19.15 80.61 0.24 16.48 2.09 0.52 0.06 0.19 0.00 79.97 0.69 82 V C C 60.87 12.88 11.52 24.67 114.27 -130.77 -89.79 131.29 77.44 20.86 1.70 64.57 8.17 3.57 0.40 1.40 0.00 20.29 1.60 83 A C C 71.74 4.30 11.44 17.39 115.81 -130.84 -90.32 141.54 91.46 7.27 1.27 86.79 1.69 3.27 0.29 0.79 0.00 6.17 1.00 84 E C C 146.89 2.47 12.93 16.88 110.55 -105.89 -79.33 131.54 99.87 0.11 0.02 99.81 0.08 0.04 0.00 0.00 0.00 0.06 0.01