# 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 M C C 114.05 5.76 12.14 19.26 114.46 -152.25 -90.01 133.97 99.82 0.15 0.03 99.76 0.09 0.04 0.01 0.00 0.00 0.07 0.02 1 A C C 69.89 5.75 9.25 16.64 113.44 -123.08 -80.78 140.19 90.35 5.54 4.11 86.69 1.03 3.79 1.77 1.33 0.00 3.58 1.79 2 K C C 152.73 2.15 10.60 14.25 111.34 -130.89 -88.72 124.62 83.48 10.70 5.82 58.82 15.58 9.03 2.13 3.71 0.00 7.89 2.82 3 R C C 149.12 4.72 9.72 16.33 117.23 -147.92 -101.31 133.45 80.60 13.62 5.78 61.56 12.81 5.82 2.39 3.58 0.00 9.65 4.19 4 T C C 74.98 7.72 9.56 18.62 117.61 -149.08 -95.89 141.47 82.74 12.47 4.79 70.96 7.89 3.47 2.59 2.22 0.00 9.19 3.67 5 K C C 145.05 3.02 12.94 17.58 111.14 -137.12 -87.80 133.04 82.40 11.55 6.05 57.74 19.49 5.33 3.79 2.38 0.01 8.70 2.56 6 K C C 137.23 4.31 11.94 18.19 113.71 -115.60 -87.69 129.62 78.22 14.66 7.11 58.71 13.89 5.18 4.78 2.68 0.01 11.12 3.62 7 V C C 81.19 7.66 10.40 19.47 115.58 -169.44 -107.62 131.34 75.78 14.81 9.40 58.10 11.13 5.45 7.36 2.82 0.02 9.85 5.27 8 G C C 40.93 4.38 14.60 20.05 119.44 7.41 87.10 -166.04 73.85 8.91 17.24 40.17 18.68 15.45 11.10 5.96 0.08 6.03 2.52 9 I C T 102.36 5.75 13.44 20.30 99.53 -29.22 -77.43 -16.42 67.66 7.25 25.10 21.75 20.52 26.92 15.22 8.50 0.32 4.17 2.58 10 V C T 73.25 8.40 11.59 20.98 100.53 67.68 -77.37 -25.83 61.76 9.41 28.83 17.71 17.26 27.87 16.19 11.18 0.74 5.18 3.87 11 G C C 39.83 6.31 12.89 20.47 100.10 55.62 -65.42 -35.23 59.31 7.60 33.09 25.64 13.47 21.48 11.91 19.99 0.11 4.60 2.80 12 K C T 143.00 2.81 14.05 17.77 96.53 48.00 -77.33 -21.60 61.60 7.25 31.15 14.73 14.84 32.99 10.44 19.42 0.29 4.70 2.58 13 Y C T 134.85 5.72 12.14 19.07 102.09 48.58 -98.08 3.35 64.95 9.99 25.06 18.70 16.22 31.55 9.34 14.18 0.36 6.05 3.61 14 G C C 37.86 6.19 12.78 20.21 123.83 -103.04 63.69 174.72 84.59 11.18 4.23 49.97 25.50 9.42 1.60 2.61 0.01 6.91 3.99 15 T C C 77.32 7.13 11.32 19.80 115.44 -73.53 -92.08 138.68 80.58 13.62 5.80 53.04 16.33 10.88 2.23 3.72 0.01 8.82 4.96 16 R C C 173.04 2.26 13.15 16.46 99.57 -160.31 -85.32 -1.51 80.94 11.38 7.67 39.94 23.69 18.33 2.87 4.48 0.03 7.29 3.36 17 Y C C 133.60 5.49 11.25 18.08 110.22 64.89 -96.06 77.56 79.43 10.92 9.65 34.02 28.61 18.02 4.75 4.34 0.07 5.99 4.19 18 G C C 30.97 4.98 13.97 20.45 123.15 -91.89 97.78 167.58 86.44 4.82 8.73 66.66 13.21 5.96 7.04 2.24 0.00 2.55 2.35 19 A H H 69.28 4.40 12.28 18.15 93.45 -94.72 -62.41 -35.22 8.93 0.14 90.93 4.09 1.99 3.01 89.69 1.10 0.01 0.06 0.06 20 S H H 74.79 1.61 15.89 16.96 91.90 54.74 -64.71 -39.46 4.15 0.08 95.77 1.32 0.61 2.25 94.55 1.18 0.01 0.05 0.02 21 L H H 66.47 6.89 14.27 22.74 92.33 49.62 -66.40 -39.74 1.60 0.06 98.34 0.63 0.22 0.79 97.24 1.08 0.00 0.04 0.01 22 R H H 84.05 10.67 13.70 25.21 92.00 52.94 -63.89 -40.96 0.96 0.03 99.01 0.37 0.13 0.45 98.60 0.43 0.00 0.02 0.00 23 K H H 113.72 2.78 18.48 21.23 91.84 50.88 -64.82 -40.30 1.32 0.03 98.65 0.43 0.14 0.67 98.45 0.28 0.00 0.02 0.01 24 M H H 92.42 3.45 18.68 22.26 91.94 50.03 -64.79 -41.52 1.57 0.04 98.39 0.46 0.18 0.83 98.26 0.24 0.00 0.02 0.01 25 V H H 38.91 11.52 15.73 28.35 92.31 50.12 -64.61 -41.97 1.29 0.04 98.66 0.41 0.16 0.63 98.57 0.20 0.00 0.02 0.01 26 K H H 91.13 8.37 17.62 26.72 91.95 51.63 -63.44 -40.87 1.75 0.05 98.20 0.52 0.18 0.91 98.07 0.28 0.00 0.03 0.01 27 K H H 119.64 3.00 19.39 22.44 91.91 50.14 -65.02 -40.35 2.79 0.06 97.14 0.61 0.28 1.73 96.89 0.43 0.01 0.03 0.01 28 I H H 69.19 7.31 17.59 25.97 92.92 48.50 -67.18 -40.97 4.73 0.18 95.09 1.30 0.64 2.65 94.61 0.63 0.02 0.10 0.05 29 E H H 62.54 10.67 16.27 27.77 92.80 51.41 -65.21 -40.76 7.54 0.49 91.97 3.20 0.99 3.54 89.96 1.84 0.03 0.32 0.12 30 I H H 76.24 6.22 17.37 24.68 92.69 49.14 -66.60 -39.52 10.59 0.69 88.73 3.66 1.53 5.75 84.30 4.05 0.06 0.46 0.19 31 S H H 48.31 6.55 15.95 23.87 93.86 51.18 -71.40 -29.40 17.85 0.47 81.68 5.32 2.18 10.53 75.74 5.72 0.05 0.27 0.19 32 Q H H 83.81 10.13 14.17 25.10 93.58 67.53 -67.75 -24.58 38.45 0.55 61.00 4.72 4.70 28.70 54.39 6.76 0.14 0.28 0.30 33 H C H 122.61 4.89 15.86 21.75 97.68 47.55 -96.37 -0.93 53.98 0.94 45.08 7.81 7.42 38.20 39.63 5.85 0.12 0.46 0.52 34 A C C 43.79 9.79 12.27 23.56 116.03 106.48 -77.86 143.71 84.77 3.44 11.78 60.44 16.54 7.59 8.87 3.25 0.00 1.88 1.42 35 K C C 142.92 3.57 17.02 21.77 112.09 -126.23 -86.69 124.38 81.42 14.44 4.14 62.66 13.65 4.88 2.24 1.92 0.01 11.71 2.94 36 Y E E 64.91 13.78 12.66 27.09 129.42 123.24 -124.90 148.69 47.00 50.95 2.05 34.16 10.84 2.62 1.14 1.19 0.01 43.07 6.97 37 T E B 76.39 5.29 19.39 25.61 120.80 -138.36 -108.29 135.60 20.85 78.80 0.34 18.10 1.20 0.13 0.30 0.09 0.00 33.82 46.36 38 C C C 13.99 19.07 9.64 28.94 109.94 -116.64 -73.59 126.06 93.11 6.83 0.05 93.26 0.77 0.10 0.01 0.02 0.00 4.64 1.19 39 S C T 76.30 3.41 17.16 21.42 92.71 -148.65 -70.00 -23.00 99.28 0.35 0.37 0.99 9.25 89.05 0.02 0.34 0.00 0.23 0.11 40 F C T 115.83 6.15 14.98 22.18 100.24 45.89 -83.63 -40.17 99.55 0.12 0.33 0.16 4.50 94.98 0.00 0.26 0.00 0.06 0.03 41 C C T 63.58 6.13 13.23 20.98 103.06 18.70 -109.40 -12.53 99.57 0.13 0.30 0.41 4.90 94.31 0.01 0.28 0.00 0.06 0.03 42 G C C 49.66 3.14 14.85 19.01 95.46 -120.07 79.63 5.84 98.17 1.61 0.21 73.76 18.97 5.37 0.05 0.19 0.00 0.81 0.84 43 K C C 88.64 6.94 13.23 22.06 118.08 138.36 -79.29 144.67 89.09 10.73 0.18 74.05 15.05 0.51 0.07 0.13 0.00 5.47 4.73 44 T E E 79.50 8.09 15.47 24.60 105.84 -142.09 -99.84 41.61 30.91 68.82 0.27 25.77 4.33 0.27 0.18 0.13 0.00 37.86 31.45 45 K C C 94.04 7.27 19.97 27.95 129.85 130.43 -124.77 150.53 56.30 43.62 0.07 47.45 7.47 0.32 0.01 0.06 0.00 43.92 0.76 46 M E E 33.61 20.56 13.14 32.99 124.38 -139.14 -111.34 140.07 23.54 76.40 0.06 22.41 1.04 0.10 0.02 0.04 0.00 74.61 1.77 47 K E E 94.25 6.65 22.50 29.81 125.13 -164.86 -122.43 141.88 6.59 93.39 0.02 6.41 0.24 0.02 0.01 0.01 0.00 92.78 0.54 48 R E E 96.41 14.35 14.14 28.45 110.39 -118.46 -78.34 125.33 7.07 92.91 0.02 6.61 0.30 0.04 0.00 0.01 0.00 92.49 0.56 49 R E E 121.48 6.25 18.27 25.65 101.33 175.34 -98.67 -24.92 27.65 72.24 0.11 21.60 5.15 0.46 0.02 0.09 0.00 72.24 0.43 50 A E E 40.58 6.19 19.39 26.55 139.64 -6.69 -157.27 164.84 34.70 64.79 0.51 8.83 19.34 8.52 0.05 0.53 0.00 61.16 1.56 51 V C T 81.96 8.70 18.54 27.78 109.00 -61.48 -62.37 130.05 98.50 1.08 0.42 2.51 17.47 78.56 0.03 0.47 0.00 0.81 0.16 52 G C T 17.59 14.21 18.41 32.79 96.59 9.32 86.22 -3.49 98.63 1.14 0.23 2.35 16.86 79.35 0.00 0.30 0.00 1.07 0.07 53 I E E 37.57 11.81 20.04 33.42 123.50 106.32 -115.06 134.34 7.86 92.13 0.00 6.85 0.45 0.02 0.00 0.00 0.00 92.49 0.18 54 W E E 23.03 19.02 17.92 37.38 129.48 -172.75 -125.25 146.44 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.01 55 H E E 59.93 9.83 23.62 34.15 124.07 -153.21 -118.74 136.72 0.24 99.76 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.70 0.05 56 C E E 9.61 18.75 13.39 33.31 109.92 -122.29 -78.16 125.19 18.19 81.80 0.01 17.88 0.37 0.03 0.00 0.01 0.00 81.25 0.46 57 G C T 34.18 7.48 18.09 26.88 94.98 -153.03 -68.70 -31.52 97.32 0.23 2.45 0.48 5.44 90.73 0.03 3.12 0.00 0.14 0.05 58 S C T 71.10 4.27 17.02 22.17 98.15 42.98 -77.56 -37.75 97.82 0.06 2.13 0.12 2.67 94.88 0.02 2.28 0.00 0.03 0.02 59 C C T 62.23 6.14 14.37 21.98 101.43 21.03 -105.13 -8.80 98.61 0.07 1.31 0.29 2.82 95.29 0.02 1.52 0.00 0.04 0.02 60 M C C 122.72 5.49 14.17 21.54 94.03 -125.19 65.63 23.94 98.17 1.47 0.36 58.21 8.10 31.86 0.07 0.28 0.00 1.25 0.24 61 K C C 99.40 5.23 16.44 23.32 120.06 140.94 -85.31 147.28 68.78 31.19 0.02 66.02 1.85 0.08 0.00 0.01 0.00 31.43 0.60 62 T E E 78.47 8.64 17.33 27.12 117.90 -118.96 -90.57 135.85 0.81 99.19 0.00 0.85 0.02 0.00 0.00 0.00 0.00 98.35 0.78 63 V E E 30.05 17.37 14.37 31.77 125.61 -170.64 -122.32 139.93 1.12 98.88 0.00 1.11 0.03 0.00 0.00 0.00 0.00 98.73 0.14 64 A E E 61.01 7.03 21.10 28.61 119.21 -132.83 -92.07 142.99 27.95 71.96 0.09 21.79 4.94 0.56 0.01 0.08 0.00 72.23 0.39 65 G C C 26.12 9.07 20.00 29.82 134.49 43.82 137.72 -176.67 69.24 30.17 0.59 40.86 24.25 4.60 0.09 0.60 0.00 28.28 1.32 66 G C C 24.90 11.48 18.70 30.22 129.09 -17.25 106.56 173.04 79.44 17.88 2.68 54.09 17.38 8.21 0.53 2.60 0.00 13.36 3.84 67 A C T 44.27 14.66 15.63 29.64 98.36 -78.04 -71.57 -21.25 86.39 7.51 6.10 19.30 33.20 34.41 0.83 5.32 0.01 4.72 2.21 68 W C T 153.99 7.88 18.38 26.24 98.81 29.82 -91.52 -1.14 85.23 7.93 6.84 17.74 33.35 34.71 1.22 5.43 0.03 4.68 2.83 69 T C C 67.27 6.60 17.91 25.37 119.73 65.30 -113.04 127.22 81.89 11.47 6.64 37.97 27.55 17.20 1.68 4.89 0.03 6.04 4.64 70 Y C C 114.87 12.40 13.20 25.37 101.55 -134.62 -74.86 -1.03 87.33 8.05 4.62 34.95 25.09 28.41 1.41 2.88 0.01 4.53 2.71 71 N C C 105.43 4.59 17.01 22.55 104.40 73.56 -96.35 49.60 91.55 4.48 3.97 45.85 22.06 24.30 1.19 2.54 0.00 2.37 1.70 72 T C C 43.97 11.42 12.22 24.67 120.42 137.38 -97.86 153.89 84.61 5.49 9.90 55.89 25.02 3.11 8.88 1.63 0.01 1.77 3.72 73 T H H 96.24 3.06 18.68 21.79 93.00 -115.18 -63.18 -34.13 23.89 0.54 75.56 7.69 6.84 11.20 71.23 2.47 0.08 0.25 0.24 74 S H H 43.99 9.59 17.77 28.07 92.43 54.88 -65.91 -38.88 17.43 0.42 82.15 5.47 3.07 9.66 78.93 2.40 0.06 0.23 0.17 75 A H H 16.03 16.05 14.90 31.48 92.36 52.71 -65.52 -40.42 6.63 0.21 93.16 3.34 1.08 2.61 91.10 1.69 0.01 0.12 0.05 76 V H H 69.54 5.83 20.44 26.67 92.06 51.19 -64.92 -41.76 3.08 0.13 96.79 1.55 0.47 1.15 96.08 0.65 0.00 0.08 0.02 77 T H H 69.06 4.12 21.75 25.73 92.18 49.34 -65.41 -41.97 2.43 0.13 97.43 1.21 0.33 0.92 97.06 0.38 0.00 0.08 0.02 78 V H H 32.59 14.28 17.97 32.65 92.35 49.27 -64.79 -42.52 1.13 0.03 98.83 0.45 0.13 0.47 98.76 0.17 0.00 0.02 0.00 79 K H H 90.17 9.46 20.05 29.82 91.83 50.98 -63.13 -41.49 0.68 0.01 99.31 0.24 0.06 0.28 99.32 0.09 0.00 0.00 0.00 80 S H H 53.37 3.00 21.23 23.70 91.39 50.20 -64.01 -42.00 0.57 0.01 99.42 0.18 0.04 0.25 99.46 0.07 0.00 0.00 0.00 81 A H H 35.51 6.94 18.34 26.73 91.69 50.66 -64.57 -42.03 0.33 0.00 99.67 0.07 0.02 0.17 99.70 0.04 0.00 0.00 0.00 82 I H H 47.27 10.85 16.62 28.62 91.89 50.00 -64.18 -42.02 0.22 0.00 99.78 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 83 R H H 125.18 2.94 19.18 22.09 91.59 50.25 -63.50 -41.56 0.20 0.00 99.79 0.03 0.01 0.11 99.81 0.03 0.00 0.00 0.00 84 R H H 128.57 2.19 18.09 19.79 91.68 49.68 -64.64 -41.42 0.41 0.00 99.59 0.05 0.02 0.26 99.61 0.06 0.00 0.00 0.00 85 L H H 59.76 6.62 14.66 22.90 91.92 50.12 -64.62 -41.12 0.64 0.00 99.36 0.09 0.04 0.40 99.37 0.10 0.00 0.00 0.00 86 K H H 102.16 3.83 14.79 19.67 91.79 50.96 -63.80 -40.77 1.41 0.00 98.59 0.23 0.10 0.89 98.54 0.24 0.00 0.00 0.00 87 E H H 110.00 1.52 14.06 15.27 91.71 50.11 -64.99 -40.08 3.72 0.01 96.26 0.54 0.27 2.55 96.14 0.49 0.00 0.00 0.00 88 L H H 97.17 2.51 11.66 15.22 92.44 49.74 -67.33 -36.99 8.73 0.04 91.23 1.72 0.88 5.74 90.51 1.11 0.01 0.02 0.02 89 K H H 134.28 2.72 10.15 14.17 93.14 52.81 -69.58 -30.56 24.17 0.17 75.67 4.09 2.55 17.17 74.72 1.29 0.03 0.06 0.10 90 D C H 116.35 1.20 9.68 11.46 96.82 52.34 -83.73 -5.57 58.70 0.19 41.10 20.06 1.48 33.83 43.27 1.17 0.00 0.06 0.12 91 Q C C 128.44 2.53 10.00 14.13 103.59 95.66 -79.29 59.64 99.85 0.03 0.11 99.50 0.16 0.21 0.09 0.01 0.00 0.02 0.01