# 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 V C C 85.87 6.55 12.27 20.17 117.67 -160.59 -101.11 130.05 99.57 0.31 0.12 99.57 0.10 0.06 0.08 0.01 0.00 0.14 0.04 1 L C C 101.82 4.79 9.79 16.18 112.41 -142.26 -86.23 126.19 75.13 4.13 20.74 72.65 1.05 2.50 18.48 1.68 0.00 2.14 1.49 2 V H H 94.08 4.31 9.27 15.18 104.76 -147.68 -81.65 2.73 42.75 4.62 52.63 33.62 5.06 5.83 43.26 7.89 0.02 3.13 1.20 3 Q H H 115.31 3.55 10.54 15.56 102.12 69.73 -77.97 -23.02 23.95 3.11 72.95 13.71 4.38 7.04 54.51 17.23 0.06 2.48 0.59 4 D H H 91.43 4.27 10.90 16.71 100.78 61.35 -78.01 -6.84 20.56 1.82 77.61 10.43 3.36 7.00 56.26 21.12 0.05 1.40 0.38 5 L H H 98.11 5.75 10.65 17.78 97.08 65.96 -76.00 -19.06 26.62 1.36 72.02 8.83 4.81 13.22 54.30 17.28 0.19 0.88 0.49 6 L H H 101.82 4.97 11.97 18.19 99.37 60.65 -84.46 -11.53 45.13 2.41 52.46 11.05 13.65 23.39 40.82 8.07 0.52 1.06 1.43 7 H C S 124.01 3.56 12.75 17.77 110.81 46.38 -112.88 97.66 98.59 1.14 0.27 32.29 66.03 0.53 0.18 0.06 0.00 0.41 0.50 8 P C C 55.19 10.74 8.45 20.08 117.04 -147.34 -70.63 149.84 97.82 1.60 0.58 93.13 4.16 0.57 0.38 0.13 0.00 0.59 1.03 9 T C C 77.87 2.42 13.66 16.65 117.81 -109.78 -74.63 160.38 97.78 0.91 1.31 95.69 1.76 0.40 1.13 0.13 0.00 0.24 0.65 10 A H H 85.33 1.67 11.68 14.12 91.94 -103.94 -57.95 -38.47 4.61 0.03 95.36 1.63 0.87 2.13 94.32 1.03 0.00 0.01 0.01 11 A H H 73.04 1.40 13.09 14.26 92.11 52.33 -64.99 -39.44 2.79 0.02 97.18 0.83 0.33 1.57 96.11 1.14 0.00 0.01 0.01 12 S H H 44.87 4.86 12.04 18.87 92.24 49.80 -65.52 -40.33 1.61 0.02 98.36 0.64 0.21 0.78 97.28 1.08 0.00 0.01 0.00 13 E H H 91.85 3.93 13.67 19.04 92.03 51.56 -64.22 -41.10 0.66 0.00 99.34 0.23 0.06 0.29 99.14 0.27 0.00 0.00 0.00 14 A H H 61.41 1.80 15.94 17.28 91.58 50.25 -63.87 -41.17 0.64 0.00 99.36 0.15 0.04 0.33 99.31 0.16 0.00 0.00 0.00 15 R H H 120.15 3.80 16.05 20.62 92.06 49.81 -65.45 -40.72 0.85 0.00 99.15 0.16 0.05 0.50 99.12 0.17 0.00 0.00 0.00 16 K H H 92.47 7.56 15.27 23.89 91.91 51.05 -63.84 -40.89 1.40 0.01 98.59 0.28 0.09 0.82 98.56 0.24 0.00 0.00 0.00 17 H H H 104.58 2.78 17.57 20.47 91.74 49.91 -64.81 -40.56 3.52 0.02 96.46 0.71 0.24 2.23 96.31 0.50 0.00 0.01 0.00 18 K H H 111.96 2.86 18.19 21.07 91.95 50.48 -64.94 -40.87 5.19 0.05 94.76 1.26 0.44 3.22 93.95 1.08 0.01 0.02 0.01 19 L H H 50.90 11.35 14.84 27.15 92.27 51.11 -65.06 -40.15 4.32 0.07 95.61 1.10 0.45 2.57 93.12 2.70 0.01 0.04 0.02 20 K H H 102.64 8.07 16.37 25.32 92.02 53.80 -65.26 -37.02 8.34 0.13 91.54 1.55 0.76 5.68 87.11 4.76 0.02 0.08 0.04 21 T H H 88.80 2.47 18.52 20.72 92.90 52.02 -69.73 -33.09 20.26 0.17 79.58 1.88 1.45 16.22 75.96 4.28 0.05 0.09 0.07 22 L H H 77.33 7.45 16.06 24.48 95.43 52.17 -75.95 -27.74 33.50 0.65 65.85 4.68 4.94 24.39 61.82 3.38 0.15 0.28 0.36 23 V C C 43.50 15.20 10.84 25.81 109.24 75.72 -90.51 107.09 72.87 3.60 23.53 38.55 22.37 11.03 22.56 1.96 0.04 1.21 2.27 24 Q C C 130.64 2.77 15.56 19.23 102.71 89.63 -84.52 12.63 90.64 2.36 7.01 62.15 15.50 12.47 5.45 1.92 0.00 1.16 1.35 25 G C C 33.59 5.57 14.21 21.06 130.21 32.73 -141.00 170.90 95.09 2.62 2.29 44.88 43.78 6.28 0.70 1.45 0.00 1.00 1.91 26 P C T 96.34 4.43 13.85 19.53 101.06 -57.35 -68.60 7.40 95.13 0.35 4.52 6.58 13.15 74.84 0.39 4.64 0.00 0.20 0.19 27 R C T 154.63 4.43 15.35 20.95 100.75 46.67 -85.21 23.82 95.41 1.03 3.57 9.30 11.94 73.57 0.34 3.82 0.00 0.71 0.31 28 S C C 34.69 14.02 12.91 27.31 117.65 124.30 -94.85 142.15 81.36 14.61 4.03 59.09 15.91 6.10 0.71 3.86 0.00 11.53 2.78 29 Y C C 102.41 10.20 18.76 29.24 115.28 -172.99 -112.33 120.66 70.20 28.49 1.31 43.94 22.50 4.16 0.27 1.13 0.00 26.33 1.68 30 F E E 69.69 15.25 16.58 31.43 118.94 59.46 -104.22 130.91 23.68 75.64 0.69 19.45 3.63 0.92 0.20 0.50 0.00 74.17 1.14 31 L E E 54.72 12.99 17.93 31.25 120.02 -169.35 -115.70 137.33 9.59 90.20 0.22 7.40 2.01 0.33 0.05 0.14 0.00 89.78 0.28 32 D E E 85.26 7.64 20.76 28.62 108.77 -111.21 -88.61 97.31 4.34 95.51 0.15 3.48 0.66 0.18 0.03 0.11 0.00 95.43 0.11 33 V E E 28.02 17.91 14.52 32.53 122.70 -178.57 -118.26 132.96 5.96 93.97 0.07 5.50 0.30 0.05 0.02 0.04 0.00 93.81 0.28 34 K E E 126.57 4.66 21.35 27.15 116.77 -150.39 -103.22 128.84 18.45 81.46 0.09 16.35 1.54 0.18 0.03 0.06 0.00 80.42 1.43 35 C C C 17.12 20.09 10.56 29.95 116.62 -153.06 -98.32 131.07 89.23 10.70 0.07 84.48 4.18 0.27 0.01 0.06 0.00 10.27 0.72 36 P C T 96.79 3.21 18.23 21.94 108.49 -100.12 -60.42 134.69 96.84 1.25 1.91 1.34 7.36 88.01 0.07 2.07 0.00 0.94 0.20 37 G C T 54.47 2.87 16.69 20.09 95.25 17.83 85.86 -1.53 97.54 0.94 1.52 1.06 7.49 88.84 0.05 1.70 0.00 0.76 0.11 38 C C C 26.84 17.49 8.69 25.32 122.55 92.78 -113.11 139.98 64.90 34.09 1.01 53.18 9.59 1.82 0.20 1.05 0.00 29.21 4.96 39 L C E 114.16 3.13 16.64 20.54 98.60 -157.95 -83.29 -28.08 58.82 40.53 0.65 15.63 30.92 13.48 0.07 0.64 0.00 37.88 1.37 40 N C E 103.96 3.48 19.10 23.04 114.66 14.19 -116.09 102.95 51.82 47.67 0.52 15.91 23.38 12.64 0.05 0.46 0.00 47.02 0.54 41 I E E 53.47 18.04 11.49 28.54 117.91 -158.43 -100.73 128.72 31.27 68.63 0.10 28.40 1.76 0.19 0.03 0.06 0.00 69.17 0.38 42 T E E 63.43 7.75 20.68 28.91 114.78 -173.40 -113.18 136.24 7.11 92.75 0.15 6.26 0.51 0.09 0.06 0.06 0.00 92.79 0.23 43 T E E 51.54 13.08 18.93 32.06 125.61 -136.38 -120.05 136.22 2.68 97.22 0.10 2.33 0.17 0.03 0.04 0.03 0.00 97.29 0.10 44 V E E 35.15 15.31 18.06 33.71 119.18 -167.90 -113.91 126.86 5.12 94.74 0.15 4.23 0.60 0.12 0.05 0.06 0.00 94.77 0.17 45 F E E 61.76 12.89 18.28 31.68 119.62 -158.65 -114.09 126.56 18.16 81.35 0.49 14.73 2.67 0.82 0.15 0.29 0.00 80.61 0.74 46 S C E 46.44 11.06 16.81 28.36 116.49 -173.89 -104.29 151.06 62.25 32.86 4.89 24.10 18.92 20.57 0.59 4.02 0.01 30.69 1.10 47 H C T 119.51 5.93 18.74 24.92 99.99 -0.26 -79.88 19.74 82.73 11.03 6.23 21.86 28.04 33.30 0.80 5.22 0.01 9.59 1.18 48 A C C 35.82 13.94 13.11 27.25 119.37 92.78 -100.93 143.77 80.30 13.18 6.53 35.08 22.76 23.22 0.88 5.59 0.01 10.98 1.48 49 Q C C 110.81 6.99 18.22 26.03 104.47 -149.11 -94.83 23.24 70.50 27.47 2.03 29.78 26.08 15.31 0.30 1.69 0.00 25.70 1.15 50 T E E 53.28 10.87 19.12 30.39 126.10 103.13 -121.51 148.04 36.23 62.96 0.81 20.76 13.03 3.41 0.15 0.63 0.00 61.28 0.73 51 A E E 31.61 13.65 20.41 34.32 117.46 -119.95 -90.45 137.81 12.47 87.31 0.22 11.09 0.92 0.16 0.06 0.11 0.00 87.30 0.36 52 V E E 12.04 20.64 18.52 39.41 120.39 -155.17 -113.03 131.04 3.52 96.42 0.06 3.10 0.27 0.04 0.02 0.03 0.00 96.32 0.21 53 T E E 48.26 10.08 23.61 34.11 123.74 -160.99 -113.31 139.63 4.78 95.16 0.06 4.41 0.33 0.05 0.03 0.03 0.00 93.87 1.28 54 C C C 10.26 20.10 12.17 32.80 113.29 -116.10 -71.48 137.11 56.08 43.79 0.13 53.56 1.37 0.23 0.03 0.09 0.00 43.23 1.49 55 E C T 125.88 4.41 18.17 23.60 93.21 -130.53 -65.83 -27.44 98.05 1.05 0.90 1.36 11.79 84.87 0.03 0.96 0.00 0.82 0.16 56 S C T 75.68 3.48 16.82 20.94 98.21 40.74 -86.03 -25.91 98.75 0.42 0.83 0.74 9.61 88.36 0.02 0.89 0.00 0.29 0.09 57 C C T 51.61 10.53 12.50 23.58 113.61 15.39 -121.38 49.66 95.73 3.15 1.12 11.12 21.33 63.23 0.07 1.40 0.00 2.25 0.61 58 S C C 83.33 3.65 17.01 21.72 95.04 -137.43 67.23 7.06 93.23 6.26 0.51 54.93 26.91 11.32 0.08 0.55 0.00 5.31 0.90 59 T C C 63.33 6.89 17.59 25.82 117.97 124.37 -84.84 142.54 72.36 27.39 0.25 46.60 24.01 2.02 0.04 0.26 0.00 25.11 1.95 60 I E E 66.30 12.94 18.22 31.63 110.32 -117.36 -78.55 124.99 4.85 95.13 0.02 4.56 0.31 0.03 0.01 0.02 0.00 92.53 2.55 61 L E E 17.63 19.14 19.20 38.68 99.16 176.33 -92.53 -28.01 8.73 91.26 0.01 4.34 4.11 0.22 0.00 0.01 0.00 91.23 0.08 62 C E E 8.12 21.10 16.90 38.45 139.44 8.82 -149.58 152.55 1.37 98.62 0.01 1.07 0.21 0.02 0.00 0.00 0.00 98.66 0.04 63 T E E 67.11 6.38 23.90 30.86 124.91 -155.13 -127.07 137.35 0.96 99.04 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.07 0.01 64 P E E 51.18 16.17 11.68 27.37 113.36 -112.73 -69.97 138.35 3.37 96.63 0.01 3.05 0.12 0.01 0.00 0.00 0.00 96.73 0.09 65 T E E 78.58 4.42 13.86 20.23 121.28 175.88 -135.34 123.89 13.99 85.78 0.23 10.50 3.29 0.90 0.05 0.21 0.00 83.15 1.89 66 G C T 68.15 0.50 14.20 12.72 94.33 -15.15 58.36 31.65 99.05 0.42 0.53 0.55 10.62 87.84 0.01 0.63 0.00 0.29 0.06 67 G C T 52.30 4.84 13.01 19.08 95.67 -47.16 82.36 1.51 99.30 0.16 0.54 0.71 11.34 87.18 0.01 0.63 0.00 0.11 0.03 68 K E E 113.67 3.74 18.02 23.06 128.33 93.50 -119.38 147.37 12.73 87.17 0.10 8.22 4.32 1.03 0.02 0.09 0.00 85.18 1.13 69 A E E 19.87 20.37 11.80 31.66 115.94 -120.97 -82.17 136.17 4.74 95.25 0.01 4.29 0.20 0.02 0.00 0.01 0.00 95.38 0.11 70 K E E 99.17 5.64 23.64 29.86 127.76 -169.73 -125.57 143.35 3.13 96.86 0.01 2.82 0.17 0.02 0.00 0.01 0.00 96.83 0.15 71 L E E 53.45 18.09 13.36 30.64 114.20 -115.75 -78.91 134.77 12.39 87.52 0.10 11.84 0.56 0.08 0.05 0.05 0.00 85.10 2.32 72 S C C 41.36 9.85 15.26 26.27 119.89 -137.42 -85.42 160.28 84.28 14.07 1.65 73.69 6.55 3.12 0.25 1.61 0.00 13.70 1.07 73 E C T 154.72 1.74 16.07 18.12 110.20 -79.00 -65.19 135.26 88.25 8.86 2.89 7.36 16.87 64.22 0.28 2.82 0.00 7.19 1.25 74 G C T 56.78 2.12 16.74 19.02 96.89 20.60 84.43 -1.97 91.74 5.87 2.39 12.91 17.11 61.69 0.20 2.48 0.00 4.97 0.63 75 T C C 32.06 18.41 9.32 26.59 116.42 129.99 -84.62 137.04 86.68 11.99 1.33 74.51 9.48 2.26 0.28 1.21 0.00 10.21 2.04 76 S C C 61.32 5.81 19.05 25.64 124.21 -164.36 -111.22 144.09 68.83 30.01 1.15 55.40 9.35 2.80 0.33 1.00 0.00 26.31 4.82 77 F C C 79.57 15.48 12.26 27.38 124.01 -164.56 -116.28 140.45 55.45 43.50 1.06 43.55 8.86 2.70 0.26 0.96 0.00 40.78 2.90 78 R E E 132.72 5.58 14.60 21.88 122.95 -164.92 -117.53 140.33 42.40 56.81 0.78 36.95 3.49 1.12 0.35 0.56 0.00 52.02 5.51 79 R C C 149.31 5.80 10.88 18.63 115.94 -130.21 -90.01 134.90 51.62 47.91 0.46 50.45 0.88 0.42 0.23 0.22 0.00 42.13 5.67 80 K C C 142.92 3.85 12.87 18.33 111.70 -123.96 -84.24 128.86 99.80 0.20 0.01 99.79 0.06 0.02 0.00 0.00 0.00 0.12 0.01