# 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 44.62 4.66 15.65 21.53 118.84 -120.49 96.86 -171.90 99.81 0.17 0.01 99.14 0.54 0.17 0.00 0.00 0.00 0.11 0.02 1 S C C 83.99 2.95 14.42 18.73 116.58 -73.72 -99.45 140.04 87.05 11.40 1.55 79.69 4.95 2.20 0.67 0.75 0.00 4.83 6.89 2 L C C 64.19 13.27 8.68 21.85 116.67 -125.79 -92.01 132.90 89.88 7.20 2.92 67.68 17.81 3.90 0.99 1.99 0.00 3.81 3.83 3 P C C 78.17 5.61 12.81 20.02 110.32 -108.48 -66.48 146.14 88.28 3.11 8.61 53.95 11.63 21.65 1.05 8.76 0.00 1.84 1.13 4 N C T 126.69 2.28 14.66 17.74 100.57 -37.83 -19.19 54.80 85.69 3.01 11.30 13.41 20.55 51.23 1.07 10.73 0.01 1.79 1.21 5 G C T 39.62 7.81 13.88 22.59 101.59 -61.61 83.63 0.20 86.78 4.97 8.25 20.55 26.26 39.58 0.57 8.50 0.00 3.60 0.93 6 K C C 106.12 7.28 17.79 26.11 121.20 110.71 -104.68 141.24 72.65 26.17 1.18 59.62 9.35 2.51 0.16 1.20 0.00 25.80 1.36 7 L E E 23.32 19.33 14.61 33.92 122.50 -157.31 -116.08 137.13 17.68 82.19 0.13 15.83 1.65 0.18 0.04 0.10 0.00 81.03 1.17 8 K E E 106.50 6.58 23.27 30.70 121.17 -149.98 -108.63 136.27 1.98 97.99 0.03 1.99 0.08 0.01 0.04 0.01 0.00 80.57 17.31 9 C C C 6.84 23.35 11.14 34.91 110.62 -120.11 -75.80 126.86 78.48 21.47 0.05 78.98 0.42 0.08 0.01 0.02 0.00 19.60 0.90 10 D C T 100.10 3.72 21.28 25.75 93.37 -149.50 -71.33 -25.41 99.66 0.14 0.20 0.47 5.71 93.51 0.00 0.19 0.00 0.09 0.02 11 I C T 64.32 12.50 17.66 30.09 100.89 44.84 -85.19 -41.57 99.77 0.07 0.16 0.06 2.24 97.54 0.00 0.10 0.00 0.03 0.02 12 C C T 32.98 13.86 16.31 30.76 102.18 17.72 -107.34 -13.35 99.86 0.05 0.09 0.16 2.24 97.50 0.00 0.07 0.00 0.02 0.01 13 G C C 37.34 6.35 20.77 28.07 95.20 -120.48 79.26 8.66 99.47 0.44 0.09 80.76 10.02 8.67 0.02 0.08 0.00 0.34 0.12 14 I C C 34.71 15.36 16.72 32.85 117.63 143.75 -80.37 140.64 85.29 14.70 0.01 84.44 1.50 0.04 0.00 0.01 0.00 12.99 1.02 15 I E E 56.44 11.66 23.49 35.47 116.73 -140.72 -99.47 128.26 0.65 99.35 0.00 0.66 0.03 0.00 0.00 0.00 0.00 93.14 6.17 16 C E E 9.05 21.41 16.21 37.70 128.00 -175.27 -122.73 148.22 12.85 87.14 0.01 13.00 0.25 0.01 0.00 0.00 0.00 85.97 0.77 17 I C S 68.68 10.84 22.09 33.10 104.64 -138.45 -96.28 21.93 92.48 7.44 0.07 37.78 53.98 0.70 0.02 0.05 0.00 7.18 0.29 18 G C S 18.54 9.04 22.67 32.42 132.84 -5.93 123.38 164.82 96.05 0.98 2.97 18.74 75.67 1.46 2.98 0.29 0.00 0.32 0.55 19 P H H 60.15 13.75 16.73 30.31 92.48 -87.76 -62.52 -31.78 18.22 0.14 81.64 1.72 2.03 14.97 73.52 7.54 0.07 0.08 0.07 20 N H H 99.38 4.00 22.39 26.90 91.59 59.73 -66.35 -31.41 12.13 0.29 87.59 2.08 1.33 8.87 78.28 9.07 0.08 0.20 0.10 21 V H H 23.82 15.59 18.61 34.53 92.51 56.03 -65.75 -39.33 4.44 0.51 95.05 2.03 0.72 1.99 86.29 8.42 0.02 0.47 0.07 22 L H H 16.42 20.42 17.05 37.19 92.27 55.20 -63.86 -42.68 3.53 1.15 95.33 1.83 0.56 1.47 91.04 3.87 0.02 1.11 0.11 23 M H H 81.28 6.13 22.87 29.32 91.77 51.18 -64.25 -41.18 4.22 2.32 93.46 2.03 0.67 1.75 90.46 2.56 0.03 2.34 0.16 24 V H H 48.41 7.79 20.86 29.69 91.76 50.61 -64.67 -41.83 5.40 2.48 92.13 2.51 0.79 2.14 90.34 1.79 0.03 2.22 0.18 25 H H H 26.71 17.79 16.41 34.21 92.38 50.05 -66.10 -40.33 9.50 1.73 88.76 4.55 1.33 3.73 86.79 1.98 0.03 1.38 0.22 26 K H H 86.87 11.19 17.51 28.90 92.35 53.45 -65.59 -37.77 15.42 1.35 83.22 6.92 2.27 6.56 80.64 2.35 0.04 0.93 0.29 27 R H H 144.30 2.92 18.18 21.28 93.17 51.08 -69.69 -32.41 21.76 1.37 76.88 9.36 3.91 9.27 73.52 2.65 0.06 0.80 0.42 28 S H H 51.01 7.84 14.40 23.35 97.39 51.82 -79.75 -25.64 35.56 1.42 63.02 16.48 5.94 13.96 59.18 3.11 0.05 0.74 0.53 29 H H H 91.77 10.30 12.73 23.40 99.38 50.32 -83.68 -14.97 49.20 1.39 49.42 15.84 8.96 25.36 44.45 3.99 0.09 0.68 0.62 30 T C T 85.62 4.50 14.14 19.74 103.70 48.20 -92.09 9.35 64.35 1.08 34.57 14.76 13.78 35.61 31.01 3.70 0.05 0.45 0.64 31 G C S 46.62 4.50 12.95 18.84 106.53 -93.37 83.64 2.57 94.06 0.89 5.04 27.08 34.24 33.21 2.21 2.35 0.00 0.40 0.51 32 E C C 130.26 3.77 13.58 18.76 107.19 119.49 -88.81 90.04 95.80 2.45 1.76 57.55 28.89 9.30 0.41 1.43 0.00 1.23 1.20 33 R C C 133.55 5.71 14.85 22.14 119.63 -99.10 -106.27 133.39 96.16 3.64 0.20 72.46 23.38 0.65 0.06 0.14 0.00 1.90 1.41 34 P C C 59.42 11.19 15.99 27.78 114.87 -112.28 -68.88 149.12 94.87 4.86 0.28 85.02 8.54 1.19 0.05 0.23 0.00 4.33 0.64 35 F C E 41.58 17.42 15.03 32.43 117.08 -127.79 -101.78 132.05 53.38 46.24 0.38 42.01 10.63 1.05 0.10 0.34 0.00 42.62 3.25 36 Q E B 96.42 6.49 21.74 29.10 123.22 -157.12 -113.47 137.89 6.31 93.62 0.07 5.65 0.29 0.02 0.08 0.02 0.00 43.88 50.07 37 C C C 11.57 20.69 10.07 30.78 109.81 -119.58 -76.74 125.17 84.94 14.99 0.07 85.14 0.62 0.10 0.01 0.03 0.00 12.46 1.63 38 N C T 118.95 2.43 17.92 20.95 93.48 -151.89 -70.58 -26.09 99.52 0.16 0.31 1.01 7.11 91.42 0.01 0.29 0.00 0.12 0.04 39 Q C T 106.76 5.25 15.99 22.39 98.35 46.57 -79.81 -39.79 99.60 0.07 0.33 0.13 2.97 96.60 0.01 0.24 0.00 0.03 0.02 40 C C T 52.35 9.09 13.71 24.09 102.42 18.58 -106.98 -12.77 99.66 0.08 0.26 0.29 3.39 96.03 0.01 0.22 0.00 0.04 0.02 41 G C C 48.85 3.52 17.14 21.56 95.74 -119.16 80.54 7.05 98.86 0.89 0.24 79.45 13.44 5.88 0.06 0.19 0.00 0.51 0.46 42 A C C 32.02 11.55 13.18 26.27 119.24 142.63 -77.16 148.66 93.88 5.86 0.26 87.34 6.17 0.48 0.10 0.15 0.00 4.47 1.28 43 S E B 58.73 6.63 20.45 27.86 125.96 -142.75 -111.15 148.78 8.08 91.52 0.40 6.36 0.89 0.20 0.33 0.12 0.01 30.36 61.72 44 F C C 31.26 20.06 11.89 31.26 122.31 -152.16 -116.21 143.42 70.28 27.49 2.23 60.38 7.22 2.25 0.95 1.45 0.00 24.99 2.76 45 T C C 87.22 4.94 18.45 24.14 100.20 -161.13 -94.10 -12.54 92.62 4.16 3.22 45.12 40.58 7.25 1.17 1.95 0.00 3.04 0.90 46 Q C S 96.18 4.84 16.21 22.22 122.72 66.59 -105.86 144.64 88.96 2.76 8.28 24.48 55.29 8.92 5.40 2.66 0.01 1.10 2.14 47 K C T 132.24 6.66 15.23 23.05 97.40 -113.86 -63.86 -21.77 73.82 0.80 25.37 6.16 11.77 55.30 18.80 6.85 0.07 0.41 0.63 48 G C T 36.10 7.10 17.13 25.02 95.98 48.93 -58.48 -17.09 70.85 0.90 28.25 8.66 10.06 50.92 23.79 5.50 0.07 0.46 0.55 49 N H H 46.12 10.17 17.96 29.39 94.35 78.29 -72.12 -26.91 42.81 2.98 54.21 30.19 7.67 6.89 48.73 3.70 0.03 1.25 1.54 50 L H H 21.74 20.00 16.18 35.78 92.34 63.57 -62.51 -42.33 9.16 0.91 89.93 3.77 1.86 4.69 85.94 2.76 0.15 0.61 0.21 51 L H H 67.57 9.13 21.36 30.88 91.75 51.45 -64.17 -40.47 5.21 1.18 93.61 2.18 0.87 2.73 89.94 2.97 0.07 1.10 0.14 52 R H H 110.36 5.87 22.87 29.08 91.75 50.53 -65.23 -40.78 4.55 1.11 94.33 2.00 0.75 2.25 90.88 2.86 0.04 1.12 0.11 53 H H H 27.95 17.37 18.80 36.01 92.37 50.52 -65.17 -40.64 6.50 1.38 92.13 2.90 1.09 3.10 88.95 2.50 0.04 1.23 0.18 54 I H H 29.43 16.00 18.63 34.73 92.37 51.47 -65.39 -41.12 9.06 2.02 88.92 4.48 1.62 3.68 86.25 2.08 0.07 1.51 0.31 55 K H H 99.90 5.61 20.51 26.59 92.16 51.88 -65.29 -38.63 11.43 2.15 86.42 5.88 1.73 4.43 83.60 2.34 0.06 1.60 0.37 56 L H H 56.47 10.63 16.20 27.80 93.11 53.20 -67.33 -36.57 13.82 1.18 85.00 5.81 2.08 6.44 81.20 3.28 0.06 0.84 0.28 57 H H H 78.61 12.36 14.88 27.32 96.11 48.62 -77.34 -26.11 21.82 0.75 77.43 5.75 3.20 13.07 74.18 3.02 0.08 0.42 0.28 58 S C H 62.59 6.03 15.08 22.11 99.99 50.69 -90.63 -8.25 51.20 0.48 48.32 6.85 8.10 35.16 47.04 2.35 0.05 0.19 0.29 59 G C T 53.40 3.11 13.86 18.33 99.45 -110.12 81.38 6.83 96.35 0.41 3.23 25.27 20.43 50.91 1.80 1.17 0.00 0.18 0.23 60 E C C 111.22 5.40 12.82 20.03 115.80 128.12 -89.64 141.73 97.32 1.67 1.01 66.39 26.74 4.13 0.31 0.63 0.00 0.68 1.11 61 K C C 133.89 4.29 16.47 22.32 117.92 -108.05 -96.75 129.75 98.72 1.22 0.06 84.12 14.42 0.30 0.01 0.05 0.00 0.70 0.41 62 P C C 55.38 13.61 15.96 29.46 109.99 -113.65 -70.05 147.18 96.75 3.18 0.07 88.82 7.43 0.39 0.01 0.07 0.00 3.07 0.21 63 F E E 31.23 18.65 15.95 34.42 122.16 -123.10 -110.10 139.45 16.96 82.95 0.09 14.33 2.57 0.20 0.02 0.08 0.00 80.89 1.91 64 K E E 108.63 6.45 23.28 30.54 121.26 -143.33 -110.34 135.29 2.32 97.66 0.02 2.31 0.08 0.00 0.02 0.01 0.00 79.59 17.99 65 C C C 7.77 22.56 10.92 33.80 109.71 -118.85 -76.33 124.47 80.81 19.15 0.05 81.08 0.49 0.07 0.01 0.02 0.00 17.48 0.85 66 H C T 122.48 4.07 20.65 25.44 93.08 -150.72 -70.09 -25.10 99.31 0.27 0.42 0.84 10.05 88.38 0.01 0.47 0.00 0.20 0.04 67 L C T 71.22 10.25 16.77 27.52 100.18 43.06 -84.34 -40.19 99.35 0.18 0.47 0.33 7.40 91.63 0.01 0.47 0.00 0.10 0.04 68 C C T 37.07 12.32 14.79 27.82 108.04 18.38 -114.10 -8.71 99.30 0.31 0.39 2.06 12.95 84.21 0.01 0.50 0.00 0.18 0.09 69 N C C 107.89 4.92 19.06 24.94 95.17 -123.25 63.95 21.58 99.12 0.72 0.17 62.41 15.90 20.76 0.02 0.17 0.00 0.54 0.20 70 Y C C 65.73 12.34 16.88 30.15 121.71 130.81 -89.25 147.00 72.18 27.75 0.07 67.02 4.50 0.27 0.02 0.05 0.00 26.94 1.22 71 A E E 31.04 12.92 21.03 34.50 124.06 -140.94 -109.12 144.20 0.98 99.01 0.01 0.98 0.07 0.00 0.01 0.00 0.00 91.67 7.27 72 C E E 9.54 18.79 15.48 34.95 133.09 -174.31 -134.17 155.57 13.34 86.64 0.02 13.81 0.22 0.01 0.01 0.01 0.00 84.08 1.86 73 R C S 135.14 6.04 20.62 27.46 94.88 -136.74 -79.17 -25.43 99.04 0.87 0.08 7.12 91.40 0.67 0.03 0.02 0.00 0.72 0.04 74 R C S 111.13 4.37 22.03 26.50 128.83 29.73 -130.69 144.98 97.66 1.40 0.94 17.13 79.94 0.79 0.81 0.16 0.00 0.39 0.78 75 R H H 104.98 14.31 13.29 27.37 91.95 -120.41 -59.05 -38.12 4.42 0.02 95.57 0.56 0.49 3.03 85.40 10.49 0.01 0.01 0.01 76 D H H 107.99 1.58 20.67 21.42 91.14 54.44 -63.95 -36.93 2.89 0.02 97.10 0.39 0.22 2.00 86.51 10.86 0.00 0.01 0.00 77 A H H 35.02 7.61 18.07 27.22 92.02 50.86 -65.83 -39.27 1.83 0.03 98.14 0.42 0.20 1.07 86.25 12.03 0.00 0.03 0.00 78 L H H 8.95 22.07 13.41 35.37 92.20 50.45 -65.40 -41.37 4.34 0.10 95.57 1.32 0.61 2.43 89.10 6.44 0.01 0.06 0.02 79 T H H 58.07 8.62 19.19 28.50 91.97 51.64 -63.84 -40.82 9.52 0.16 90.31 2.09 1.31 6.15 85.37 4.92 0.03 0.08 0.06 80 G H H 38.38 2.58 20.64 22.53 92.01 51.64 -64.01 -40.06 15.50 0.14 84.36 2.78 1.82 10.58 78.91 5.75 0.03 0.07 0.06 81 H H H 58.05 11.71 16.34 28.88 93.84 50.05 -70.69 -34.93 16.03 0.30 83.67 4.82 2.42 8.87 76.92 6.63 0.03 0.17 0.12 82 L H H 43.68 16.43 12.56 28.50 96.45 59.91 -71.99 -31.51 18.58 1.39 80.04 9.19 3.42 7.12 73.61 5.32 0.05 0.87 0.42 83 R H H 151.72 3.20 15.80 19.89 98.58 55.51 -72.85 -23.64 28.66 2.36 68.99 15.18 4.54 10.00 64.33 3.75 0.04 1.44 0.71 84 T H H 92.03 3.46 12.91 17.43 101.17 56.45 -80.47 -12.70 38.89 2.66 58.44 17.66 6.22 15.53 55.34 2.81 0.04 1.47 0.92 85 H C C 110.67 7.08 9.69 18.04 103.86 59.88 -89.41 12.46 62.33 1.50 36.17 39.68 2.48 17.83 36.82 1.77 0.00 0.72 0.70 86 S C C 74.00 5.04 12.43 19.04 107.63 105.40 -86.65 79.85 99.87 0.04 0.09 99.67 0.09 0.14 0.07 0.00 0.00 0.02 0.01