# 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 61.75 7.77 21.12 28.67 103.56 -144.65 -81.79 14.16 99.94 0.06 0.00 99.86 0.09 0.02 0.00 0.00 0.00 0.02 0.01 1 I C C 24.60 22.33 11.78 33.02 118.76 77.62 -102.08 131.36 95.93 4.00 0.06 96.76 0.29 0.05 0.03 0.01 0.00 1.16 1.70 2 E C C 105.57 4.22 23.31 27.89 124.65 -163.14 -114.53 147.55 96.35 3.59 0.06 95.97 0.79 0.08 0.02 0.02 0.00 1.55 1.57 3 I C T 80.51 13.46 16.04 29.33 111.24 -92.34 -63.13 134.34 98.94 0.92 0.14 0.27 1.60 97.47 0.00 0.08 0.00 0.41 0.15 4 G C T 22.67 11.42 20.90 33.02 97.04 25.13 90.09 -6.40 99.77 0.19 0.05 0.24 1.46 98.12 0.00 0.04 0.00 0.13 0.01 5 R C C 63.27 13.24 21.79 35.47 119.38 126.99 -78.77 147.34 94.77 5.22 0.00 93.56 1.41 0.02 0.00 0.00 0.00 4.86 0.14 6 I E E 30.90 17.42 24.21 41.17 115.41 -128.71 -93.38 130.60 0.79 99.21 0.00 0.86 0.02 0.00 0.00 0.00 0.00 98.40 0.73 7 C E E 2.69 25.15 21.51 46.62 131.29 -172.81 -126.84 152.29 0.48 99.52 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.02 8 V E E 26.86 13.86 25.78 40.17 122.75 -142.14 -117.66 134.26 0.99 99.00 0.00 0.96 0.04 0.00 0.00 0.00 0.00 98.88 0.11 9 K E E 29.31 18.72 17.08 36.25 109.01 -116.35 -72.84 125.41 22.65 77.26 0.08 22.03 0.91 0.09 0.03 0.05 0.00 75.93 0.96 10 T C C 53.02 9.85 19.66 30.59 99.85 177.87 -99.55 -24.00 96.51 3.25 0.25 50.25 44.83 1.63 0.03 0.24 0.00 2.70 0.33 11 R C S 124.28 3.16 20.48 24.20 135.99 22.62 -142.86 155.34 97.77 1.72 0.52 8.59 86.51 2.98 0.08 0.28 0.00 0.72 0.83 12 G C S 44.54 2.74 18.14 21.41 124.73 19.53 82.61 -158.85 88.27 1.01 10.72 4.69 67.73 17.44 0.90 7.95 0.01 0.41 0.87 13 R C T 165.52 3.35 17.83 22.27 92.95 -34.73 -70.79 -19.73 79.56 0.31 20.13 1.09 12.62 64.63 0.52 20.77 0.00 0.14 0.22 14 E C T 29.78 18.94 12.50 31.42 94.78 52.89 -92.77 2.73 82.81 0.34 16.85 2.63 7.19 70.79 0.69 18.29 0.00 0.17 0.23 15 A C T 51.21 10.59 14.37 26.36 111.47 128.50 -60.74 133.24 97.51 0.39 2.11 0.65 1.59 95.78 0.23 1.28 0.00 0.13 0.35 16 G C T 49.51 3.50 20.57 24.64 93.67 19.93 85.43 -2.61 99.05 0.13 0.82 0.54 2.05 96.64 0.05 0.62 0.00 0.08 0.03 17 K C C 73.01 12.17 18.78 31.30 123.32 122.67 -85.84 150.77 97.00 2.88 0.11 84.13 12.50 0.52 0.02 0.11 0.00 2.44 0.28 18 K E E 82.84 11.55 24.50 35.91 115.71 -116.65 -83.80 135.99 2.85 97.11 0.04 2.64 0.22 0.03 0.03 0.01 0.00 96.27 0.81 19 C E E 2.53 24.83 20.28 45.54 137.91 173.76 -142.26 161.54 0.61 99.38 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.43 0.01 20 V E E 13.20 17.52 27.18 45.13 118.45 -121.04 -106.45 130.98 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 21 I E E 5.65 24.14 20.66 45.59 109.38 -124.33 -78.19 122.51 0.30 99.70 0.01 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 22 V E E 33.88 14.39 23.15 37.78 101.01 174.79 -98.63 -30.56 4.29 95.62 0.08 3.22 0.62 0.08 0.02 0.03 0.00 95.98 0.04 23 D E E 64.42 5.78 25.75 32.24 138.34 -0.75 -152.63 150.20 3.94 96.01 0.05 2.62 0.75 0.10 0.01 0.02 0.00 96.46 0.03 24 I E E 60.66 17.26 13.57 30.30 111.80 -128.21 -95.30 118.68 3.33 96.62 0.05 3.03 0.23 0.04 0.02 0.02 0.00 96.43 0.22 25 I E E 81.12 6.48 16.76 24.73 100.99 175.85 -92.06 -36.42 24.48 75.34 0.19 16.25 7.55 1.04 0.04 0.14 0.00 74.43 0.54 26 D E E 72.06 2.70 19.82 22.13 139.14 -18.55 -160.58 172.44 36.38 63.32 0.30 5.78 23.02 8.68 0.03 0.29 0.00 60.82 1.37 27 S C T 83.58 4.93 15.66 22.34 92.33 -82.65 -65.11 -22.67 99.50 0.27 0.23 0.50 18.43 80.64 0.01 0.22 0.00 0.17 0.04 28 N C T 75.60 10.15 16.36 27.04 102.20 32.29 -111.48 -3.57 99.53 0.34 0.13 0.55 17.66 81.39 0.00 0.12 0.00 0.25 0.03 29 F E E 49.61 11.83 20.06 33.19 132.56 59.63 -133.36 145.73 2.51 97.49 0.00 2.04 0.27 0.01 0.00 0.00 0.00 97.51 0.17 30 V E E 4.29 23.63 17.93 42.25 129.01 -171.76 -128.82 144.43 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 31 L E E 27.08 12.91 26.84 40.94 116.61 -134.77 -97.43 130.40 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 32 V E E 2.62 25.84 20.07 46.56 124.78 -169.48 -119.76 138.31 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 33 T E E 21.35 14.34 25.94 40.57 125.22 -156.60 -113.30 142.71 8.46 91.53 0.01 7.80 0.43 0.02 0.00 0.00 0.00 91.42 0.32 34 G C C 6.90 19.56 20.23 38.99 134.33 124.28 -115.59 172.02 84.10 15.80 0.10 75.60 7.18 0.25 0.03 0.07 0.00 16.30 0.56 35 P C C 31.25 12.65 18.94 32.47 114.26 -66.35 -68.82 150.09 82.40 6.52 11.09 61.67 11.39 8.99 2.93 8.71 0.00 4.50 1.80 36 K C T 127.35 6.72 16.12 24.15 94.91 -131.07 -67.80 -26.14 69.85 2.07 28.07 13.49 20.69 36.05 5.77 21.64 0.08 1.01 1.27 37 E C T 134.66 2.43 17.07 19.68 98.53 59.98 -81.94 -4.58 65.94 2.78 31.28 16.33 16.53 33.98 6.51 23.68 0.08 1.42 1.47 38 I C C 64.98 13.35 9.31 22.41 108.57 74.35 -92.31 94.05 70.54 4.24 25.23 32.13 23.25 16.35 8.34 15.39 0.05 1.79 2.70 39 N C T 113.45 3.66 13.80 18.76 102.22 -62.00 -81.68 36.07 83.63 2.26 14.11 24.20 21.49 38.81 4.65 8.43 0.02 0.98 1.41 40 G C T 54.14 3.07 14.71 18.80 99.74 -47.47 81.83 1.42 86.09 2.69 11.22 15.61 33.32 38.28 2.20 7.89 0.01 1.38 1.30 41 V C C 58.34 12.19 11.49 24.33 116.27 110.22 -97.21 129.33 80.31 12.31 7.39 47.73 23.66 9.38 1.88 5.45 0.01 6.50 5.40 42 K C C 120.95 4.83 18.57 24.29 115.46 -138.90 -87.22 135.88 85.84 10.53 3.63 72.77 8.40 4.54 0.82 2.78 0.00 8.94 1.76 43 R C C 88.28 17.35 13.13 29.41 117.63 -122.12 -81.92 139.00 79.29 20.33 0.39 74.06 3.69 0.60 0.09 0.26 0.00 20.31 1.00 44 R E E 96.14 8.76 20.97 30.47 132.59 -176.50 -133.23 150.41 15.57 84.34 0.08 14.59 0.92 0.10 0.03 0.05 0.00 82.54 1.77 45 R E E 122.31 9.91 20.32 30.69 115.32 -113.86 -78.36 133.88 3.67 96.32 0.01 3.56 0.13 0.00 0.00 0.00 0.00 93.90 2.40 46 V E E 13.47 20.42 14.92 35.44 133.98 171.52 -136.54 156.50 24.83 75.16 0.01 25.06 0.27 0.00 0.00 0.00 0.00 74.22 0.44 47 N E E 56.26 7.52 23.30 31.44 112.92 -104.87 -75.49 137.59 36.59 63.39 0.02 38.63 0.29 0.01 0.00 0.01 0.00 59.64 1.42 48 I H G 44.35 19.79 14.47 33.75 91.52 -125.18 -61.40 -28.82 4.47 0.73 94.80 0.34 0.54 3.01 0.42 94.97 0.00 0.73 0.00 49 L H G 109.89 4.30 22.00 27.38 89.91 66.26 -68.41 -18.46 3.91 0.75 95.34 0.16 0.36 2.97 0.25 95.54 0.00 0.71 0.00 50 H H G 47.96 15.04 18.38 33.86 95.23 55.27 -95.15 -3.89 4.47 1.03 94.50 0.33 0.49 3.02 0.27 94.83 0.00 1.05 0.00 51 I E E 5.84 26.13 13.28 39.75 121.21 85.84 -105.06 135.83 12.85 86.93 0.22 11.03 1.95 0.12 0.07 0.14 0.00 78.69 8.01 52 E E E 86.06 7.24 25.74 33.47 126.48 -173.48 -126.30 137.87 9.12 90.86 0.01 8.67 0.32 0.01 0.01 0.01 0.00 90.22 0.76 53 P E E 61.99 14.85 17.85 32.05 114.91 -108.56 -67.27 142.86 10.19 89.74 0.06 9.43 0.58 0.12 0.02 0.04 0.00 88.09 1.72 54 T C C 23.97 18.19 11.95 29.76 126.63 -152.79 -108.07 156.11 80.16 19.68 0.16 79.26 1.33 0.21 0.03 0.11 0.00 17.94 1.12 55 D C S 125.25 1.26 19.18 19.52 94.59 -129.30 -79.40 -10.12 92.23 7.61 0.16 26.17 62.83 2.93 0.01 0.17 0.00 7.52 0.38 56 K C C 92.78 8.86 15.43 25.50 121.29 84.84 -105.95 138.35 75.35 24.38 0.28 41.67 31.42 3.31 0.03 0.34 0.00 21.80 1.43 57 K C C 111.80 9.82 16.66 27.82 124.23 -160.69 -120.11 136.17 60.92 38.93 0.15 59.50 1.82 0.20 0.05 0.10 0.00 31.52 6.81 58 V C C 20.03 19.70 13.17 32.88 120.62 -157.86 -112.93 132.11 75.93 23.99 0.08 74.58 1.54 0.12 0.02 0.05 0.00 21.41 2.26 59 E C C 135.68 2.44 23.39 25.74 111.31 -136.10 -91.18 121.12 86.61 13.34 0.06 83.28 3.04 0.19 0.01 0.05 0.00 12.21 1.22 60 I C C 23.04 22.40 9.10 30.04 125.39 -171.03 -118.24 141.54 93.44 6.48 0.08 90.72 3.13 0.13 0.03 0.04 0.00 3.91 2.03 61 N C C 97.84 2.66 19.39 21.78 118.55 -118.52 -80.23 154.72 98.87 1.02 0.11 97.97 0.89 0.19 0.03 0.04 0.00 0.40 0.48 62 K C T 154.89 3.16 13.56 18.82 109.27 -87.42 -62.27 135.91 99.51 0.17 0.32 1.32 6.57 91.70 0.04 0.22 0.00 0.11 0.05 63 G C T 62.42 1.02 17.02 17.01 95.28 20.65 83.13 -0.62 99.70 0.09 0.20 2.01 5.36 92.35 0.02 0.17 0.00 0.07 0.02 64 A C C 19.39 16.94 8.76 25.67 117.13 143.57 -71.86 143.32 99.28 0.64 0.08 89.93 9.15 0.13 0.03 0.04 0.00 0.19 0.54 65 T C C 67.87 2.98 22.67 24.52 124.36 -133.57 -89.32 164.01 98.94 0.91 0.15 97.37 1.46 0.06 0.10 0.02 0.00 0.16 0.83 66 D H H 59.67 15.64 13.69 29.01 91.19 -104.57 -58.98 -37.93 1.99 0.00 98.01 0.35 0.36 1.02 98.10 0.16 0.00 0.00 0.00 67 Q H H 119.88 1.86 20.96 22.00 91.36 54.03 -63.39 -40.48 0.56 0.00 99.44 0.10 0.04 0.31 99.44 0.10 0.00 0.00 0.00 68 E H H 77.08 6.62 20.20 27.60 91.69 49.15 -65.12 -41.06 0.11 0.00 99.89 0.02 0.01 0.06 99.86 0.06 0.00 0.00 0.00 69 V H H 3.00 25.18 14.77 40.43 91.17 49.84 -63.30 -43.98 0.04 0.00 99.96 0.01 0.00 0.02 99.96 0.01 0.00 0.00 0.00 70 K H H 72.75 12.41 20.90 33.14 91.23 50.55 -62.12 -42.23 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 71 Q H H 101.17 1.88 25.07 24.81 91.52 50.18 -63.74 -41.83 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 72 A H H 11.66 13.53 18.80 33.88 91.58 50.66 -63.34 -43.04 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 73 I H H 7.54 22.57 14.96 37.63 91.71 49.25 -63.88 -42.82 0.24 0.00 99.75 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 74 E H H 114.26 4.59 18.54 24.26 91.58 50.05 -63.50 -41.09 0.69 0.00 99.30 0.07 0.02 0.49 99.33 0.09 0.00 0.00 0.00 75 Q H H 132.81 1.52 18.30 19.25 90.91 52.02 -65.47 -31.76 4.77 0.01 95.22 0.10 0.12 4.66 94.94 0.17 0.00 0.00 0.00 76 S C T 36.96 11.99 12.66 25.71 92.58 51.88 -85.14 -5.85 77.82 0.02 22.15 0.30 1.14 74.83 23.30 0.41 0.00 0.01 0.02 77 G C T 49.16 2.59 20.36 22.60 94.00 -113.73 79.13 17.80 98.64 0.02 1.34 1.70 1.72 95.26 1.21 0.10 0.00 0.01 0.01 78 L H H 21.63 18.00 12.20 30.54 97.62 126.46 -89.26 -6.44 39.48 0.40 60.12 37.21 2.12 3.21 50.93 6.17 0.00 0.17 0.18 79 T H H 50.65 13.14 14.02 27.45 93.30 88.50 -62.73 -39.22 12.49 0.27 87.24 3.72 1.73 6.49 68.24 19.52 0.04 0.18 0.08 80 D H H 110.21 1.26 19.60 19.29 92.43 54.53 -67.38 -28.90 9.91 0.25 89.85 2.44 1.30 5.67 71.84 18.45 0.05 0.18 0.07 81 F H H 86.29 9.25 15.58 25.70 94.08 54.15 -72.54 -32.60 12.08 0.37 87.56 3.20 1.96 6.85 73.57 13.99 0.08 0.23 0.12 82 I H H 35.25 18.90 10.72 28.28 98.51 53.82 -84.54 -14.71 28.16 1.98 69.86 9.25 6.55 15.04 61.50 5.53 0.25 1.05 0.83 83 K C H 130.10 4.57 13.79 19.82 104.22 70.60 -85.52 25.03 57.50 4.35 38.15 28.00 14.24 16.60 34.44 2.70 0.10 1.88 2.02 84 E C C 130.70 3.25 11.12 16.22 113.39 96.04 -86.05 134.80 85.77 1.96 12.27 75.28 1.32 8.46 11.80 1.22 0.00 1.02 0.91 85 A C C 74.96 5.36 11.54 18.59 109.88 -106.11 -72.68 139.31 99.93 0.04 0.03 99.84 0.06 0.06 0.02 0.00 0.00 0.02 0.00