# 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 52.67 17.11 15.59 32.20 121.72 -147.82 -102.45 138.18 99.67 0.33 0.00 99.69 0.07 0.00 0.00 0.00 0.00 0.24 0.01 1 K E E 82.85 10.27 20.95 31.47 121.80 -160.53 -109.01 135.55 9.97 90.02 0.01 9.78 0.17 0.01 0.00 0.00 0.00 89.56 0.46 2 I E E 52.62 14.77 19.12 34.02 117.21 -139.55 -95.54 130.36 2.60 97.40 0.00 2.30 0.12 0.00 0.00 0.00 0.00 97.54 0.04 3 M E E 15.94 19.11 19.25 38.47 133.99 -177.11 -133.20 157.20 0.80 99.20 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.28 0.00 4 Q E E 59.36 10.31 25.40 36.39 121.58 -131.96 -110.35 135.29 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 5 V E E 8.44 23.95 13.85 38.73 110.44 -118.75 -76.22 124.94 1.50 98.49 0.00 1.45 0.03 0.00 0.00 0.00 0.00 98.47 0.04 6 E E E 89.53 6.28 22.35 29.37 99.98 177.89 -99.29 -24.18 18.76 81.22 0.02 9.27 8.76 0.29 0.00 0.02 0.00 81.54 0.12 7 K E E 85.75 4.72 23.86 28.74 141.83 4.42 -152.27 167.50 29.50 70.49 0.01 3.27 25.72 0.45 0.00 0.01 0.00 70.43 0.11 8 T E E 63.14 10.27 21.84 32.11 115.12 -76.25 -70.55 142.97 30.16 69.81 0.03 27.18 1.37 0.07 0.00 0.02 0.00 71.26 0.09 9 L E E 13.06 23.60 15.38 39.32 125.14 -156.77 -118.80 138.45 2.54 97.46 0.01 2.54 0.07 0.00 0.00 0.00 0.00 96.80 0.59 10 V E E 56.55 8.98 25.41 35.06 123.31 -159.99 -118.76 136.70 5.45 94.54 0.01 5.20 0.30 0.02 0.00 0.00 0.00 93.86 0.62 11 S E E 14.07 22.08 12.84 34.56 115.82 -135.60 -90.70 139.25 40.61 59.32 0.07 38.72 1.33 0.11 0.01 0.04 0.00 58.98 0.80 12 T C S 78.73 5.56 21.32 27.54 98.99 -170.32 -94.52 -16.86 91.58 8.34 0.08 16.19 72.71 2.11 0.01 0.09 0.00 8.57 0.33 13 N C S 87.81 4.84 21.39 26.77 126.59 38.18 -127.88 136.65 89.12 10.59 0.29 24.83 61.57 3.21 0.04 0.30 0.00 8.88 1.16 14 R C C 104.27 15.35 13.63 28.29 120.61 -156.69 -105.21 134.64 86.77 12.79 0.45 81.77 4.76 0.41 0.20 0.25 0.00 6.65 5.96 15 I C C 45.10 12.18 12.24 25.75 116.08 -136.84 -90.92 134.09 91.28 8.44 0.28 86.46 4.08 0.21 0.14 0.12 0.00 2.51 6.48 16 A H G 92.51 1.30 16.28 17.31 93.05 -110.36 -57.78 -35.70 31.36 0.17 68.46 0.62 2.04 26.60 0.98 69.62 0.00 0.09 0.05 17 D H G 95.80 4.92 15.82 21.74 92.04 52.68 -71.30 -18.49 30.59 0.09 69.32 0.46 1.38 26.79 1.17 70.12 0.00 0.05 0.02 18 M H G 16.31 20.87 9.98 30.45 98.60 47.22 -101.74 -2.09 28.86 0.78 70.36 2.97 3.89 20.29 1.64 70.52 0.00 0.38 0.31 19 G C T 35.15 7.23 16.72 25.30 110.79 133.39 26.19 -146.58 96.08 1.55 2.37 4.63 4.41 87.24 0.49 1.62 0.00 0.74 0.87 20 H C T 145.86 3.27 19.01 22.95 95.35 8.21 -80.98 10.26 97.78 0.88 1.34 3.10 8.03 86.45 0.10 1.47 0.00 0.69 0.16 21 K C S 68.32 13.18 17.15 30.67 122.38 112.61 -94.15 144.65 91.69 8.06 0.24 43.65 48.26 0.81 0.05 0.19 0.00 5.76 1.28 22 P C C 37.78 12.19 22.79 35.56 115.00 -113.13 -75.43 141.21 54.51 45.43 0.05 52.37 1.61 0.11 0.01 0.04 0.00 43.85 2.02 23 L E E 4.71 24.90 19.68 44.95 129.68 -167.81 -124.21 147.26 5.44 94.55 0.00 5.08 0.23 0.01 0.00 0.00 0.00 94.50 0.19 24 L E E 12.73 19.02 26.07 45.19 118.55 -141.01 -104.02 131.83 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 25 V E E 6.69 22.27 24.51 46.61 116.94 -153.43 -106.61 127.34 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 26 V E E 9.41 20.35 22.51 43.09 119.22 -164.26 -111.53 128.68 0.64 99.36 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.40 0.02 27 W E E 58.03 13.67 20.24 34.62 121.03 -164.14 -112.77 132.06 12.20 87.77 0.02 11.47 0.49 0.04 0.01 0.01 0.00 87.60 0.38 28 E C C 83.84 10.43 16.82 27.96 98.79 -161.21 -83.06 -26.89 75.53 24.33 0.15 49.93 23.15 1.27 0.02 0.14 0.00 24.95 0.55 29 K C S 106.00 3.61 15.98 20.64 129.14 22.56 -133.79 146.31 92.53 6.86 0.60 35.49 50.18 7.27 0.10 0.57 0.00 4.95 1.44 30 P C T 112.16 2.53 12.33 16.60 110.37 -89.01 -60.14 136.89 98.36 0.69 0.95 8.47 17.09 72.65 0.08 1.04 0.00 0.47 0.21 31 G C T 66.26 0.58 13.96 12.83 97.21 19.99 84.80 -3.15 98.72 0.70 0.59 11.13 16.94 70.47 0.04 0.75 0.00 0.49 0.17 32 A C S 42.74 9.25 9.22 19.96 121.64 116.88 -87.31 151.92 94.60 5.06 0.34 45.20 48.12 1.84 0.06 0.32 0.00 2.67 1.78 33 P C C 90.25 3.21 18.30 21.75 114.64 -101.47 -68.79 149.22 94.37 5.56 0.08 81.76 11.97 0.54 0.01 0.08 0.00 5.12 0.53 34 R C C 91.56 15.73 14.66 29.75 115.34 -108.44 -75.27 139.15 70.21 29.72 0.07 65.53 3.00 0.20 0.01 0.06 0.00 30.55 0.67 35 Q E E 44.54 14.67 21.98 36.54 128.43 -168.06 -124.43 146.66 3.58 96.41 0.01 3.25 0.30 0.02 0.00 0.01 0.00 95.96 0.46 36 V E E 17.59 21.78 22.80 44.09 124.35 -149.98 -114.96 135.70 1.01 98.98 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.82 0.11 37 A E E 6.09 22.32 26.02 47.60 130.20 -172.70 -127.36 147.07 1.92 98.08 0.00 1.83 0.08 0.00 0.00 0.00 0.00 98.00 0.07 38 V E E 18.43 21.33 25.08 45.61 124.74 -153.35 -120.63 136.36 6.00 93.97 0.03 5.52 0.37 0.04 0.01 0.01 0.00 92.73 1.32 39 D C C 13.25 21.88 20.37 41.59 116.36 -155.07 -118.54 119.97 57.12 42.64 0.24 53.19 2.51 0.30 0.06 0.17 0.00 42.75 1.01 40 A C S 56.56 9.70 22.46 32.87 93.73 -158.94 -73.96 -19.27 90.06 7.65 2.29 16.13 52.26 21.76 0.26 1.89 0.00 6.95 0.75 41 I C S 75.46 10.12 22.11 32.24 100.43 54.84 -94.34 -3.70 89.81 8.40 1.79 8.58 46.84 35.02 0.23 1.45 0.01 6.31 1.55 42 G C C 30.63 11.04 23.51 34.48 102.99 -114.51 73.91 45.00 97.72 1.97 0.30 77.09 11.55 8.95 0.04 0.36 0.00 1.38 0.63 43 C C C 6.95 25.56 13.16 38.54 122.65 168.88 -99.72 142.24 93.81 6.16 0.03 91.09 2.54 0.05 0.02 0.01 0.00 1.34 4.96 44 I C C 84.45 4.82 25.53 30.64 128.86 -164.87 -118.72 157.56 99.36 0.63 0.02 96.04 3.25 0.04 0.01 0.00 0.00 0.16 0.49 45 P C T 79.76 10.30 17.22 28.11 109.79 -79.14 -59.00 135.87 99.74 0.17 0.09 0.13 1.52 98.19 0.00 0.05 0.00 0.07 0.04 46 G C T 39.30 5.33 20.89 27.26 96.08 25.86 90.60 -6.82 99.88 0.08 0.04 0.29 1.42 98.19 0.00 0.03 0.00 0.05 0.00 47 D C C 27.72 16.07 18.53 35.32 118.44 129.99 -72.95 147.44 93.44 6.55 0.01 92.13 1.65 0.03 0.00 0.01 0.00 5.94 0.25 48 W E E 56.46 15.57 25.79 41.22 118.78 -132.01 -98.23 135.64 1.32 98.68 0.00 1.38 0.02 0.00 0.00 0.00 0.00 98.35 0.25 49 V E E 1.21 27.40 23.57 51.36 124.82 -167.84 -123.82 135.52 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 50 L E E 7.26 22.75 28.90 51.09 118.59 -153.40 -104.78 130.79 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 51 C E E 3.12 25.83 26.13 51.28 125.23 -169.11 -121.62 138.83 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 52 V E E 12.67 20.48 24.71 44.33 133.32 -165.68 -130.93 153.56 6.29 93.70 0.00 5.83 0.21 0.01 0.00 0.00 0.00 93.80 0.13 53 G C E 18.25 13.99 23.51 37.21 120.88 -111.84 -81.80 161.86 51.48 48.32 0.19 43.37 6.18 0.36 0.05 0.13 0.00 49.19 0.71 54 S H H 47.67 13.22 20.06 32.46 97.41 -94.23 -59.31 -52.14 33.88 1.59 64.52 9.22 13.31 13.11 56.24 6.42 0.26 0.96 0.47 55 S H H 74.22 2.98 23.07 25.65 93.26 25.66 -66.16 -38.90 13.06 0.21 86.72 2.90 2.43 7.63 79.30 7.42 0.11 0.11 0.10 56 A H H 36.50 9.30 20.48 30.54 92.46 52.17 -66.53 -39.64 6.76 0.12 93.13 2.16 1.00 3.47 84.90 8.34 0.03 0.07 0.04 57 A H H 5.55 23.57 14.35 37.74 92.08 52.93 -64.42 -41.93 3.27 0.04 96.69 1.06 0.49 1.68 92.02 4.70 0.01 0.03 0.01 58 R H H 108.78 9.76 19.89 29.86 91.94 52.19 -63.70 -40.72 3.09 0.06 96.86 0.79 0.38 1.80 92.71 4.25 0.01 0.04 0.01 59 E H H 130.09 1.97 22.35 23.34 92.30 49.59 -66.44 -38.66 4.67 0.06 95.27 0.75 0.46 3.27 91.20 4.24 0.02 0.04 0.02 60 A H H 34.96 13.73 16.47 30.26 92.95 49.79 -71.84 -30.81 11.39 0.09 88.52 1.12 1.21 8.94 85.63 2.96 0.05 0.04 0.05 61 A H H 29.83 16.48 13.96 29.80 95.92 52.02 -81.14 -16.07 43.31 0.68 56.01 6.81 9.55 27.84 53.03 1.92 0.13 0.21 0.52 62 G C T 56.62 2.20 18.63 21.01 98.43 -122.66 77.76 3.50 96.95 0.61 2.44 31.93 24.11 41.14 0.98 1.20 0.00 0.27 0.36 63 S C C 48.52 7.65 13.13 22.29 120.73 86.07 -118.63 130.52 96.63 2.21 1.16 67.87 23.67 4.43 0.34 0.80 0.00 0.60 2.28 64 K C T 144.49 5.30 12.80 20.10 93.10 -155.41 -69.69 -17.98 98.28 0.38 1.35 4.30 18.46 75.27 0.10 1.44 0.00 0.22 0.20 65 S C T 89.15 1.69 17.11 18.54 93.63 61.96 -80.97 -12.53 99.07 0.21 0.72 4.32 18.52 76.00 0.04 0.89 0.00 0.13 0.09 66 Y C S 68.69 13.89 13.16 27.53 114.22 66.77 -111.47 112.12 96.40 3.26 0.34 31.62 63.66 1.05 0.08 0.22 0.00 0.85 2.53 67 P C C 61.11 9.51 21.07 31.28 102.41 -151.82 -72.05 2.34 98.48 1.41 0.11 85.68 11.57 1.22 0.02 0.11 0.00 0.66 0.74 68 S C C 10.08 22.88 16.42 38.76 128.79 89.32 -114.57 150.81 89.72 9.99 0.30 83.55 5.69 0.77 0.06 0.27 0.00 6.15 3.52 69 D C S 49.34 12.16 24.88 37.51 97.19 -153.76 -84.43 -26.76 93.96 5.91 0.12 12.28 79.38 2.26 0.01 0.11 0.00 5.69 0.27 70 L E E 22.77 18.74 24.17 42.56 137.00 13.78 -145.62 149.14 20.36 79.52 0.12 12.00 7.59 1.43 0.01 0.15 0.00 78.39 0.42 71 T E E 13.30 21.75 24.60 45.31 128.82 -168.83 -130.71 137.37 1.90 98.10 0.00 1.61 0.16 0.01 0.00 0.00 0.00 98.11 0.11 72 I E E 18.80 21.39 24.59 45.35 112.71 -142.79 -93.03 122.66 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 73 I E E 34.75 16.92 25.33 41.46 103.29 173.73 -105.95 -15.80 0.52 99.48 0.00 0.41 0.03 0.00 0.00 0.00 0.00 99.55 0.00 74 G E E 7.88 16.47 24.54 40.80 148.14 -27.82 171.55 172.80 0.89 99.10 0.00 0.67 0.09 0.00 0.00 0.00 0.00 99.23 0.01 75 I E E 47.62 14.68 22.87 37.49 121.61 -93.26 -115.59 133.94 1.89 98.10 0.01 1.70 0.11 0.01 0.00 0.00 0.00 98.08 0.10 76 I E E 32.16 18.10 16.20 34.59 110.44 -127.17 -84.57 121.08 16.20 83.53 0.27 15.57 0.62 0.15 0.07 0.14 0.00 82.84 0.60 77 D C E 75.58 7.22 19.33 27.42 100.65 173.50 -92.41 -29.42 54.82 43.18 2.00 22.61 21.57 11.30 0.18 1.93 0.00 41.63 0.78 78 Q C C 100.78 3.96 20.30 24.92 130.63 8.50 -143.68 142.29 64.04 33.61 2.36 37.37 15.71 11.53 0.30 2.25 0.00 31.52 1.30 79 W C C 97.86 16.88 10.23 25.83 120.17 -170.12 -120.09 126.13 64.09 32.04 3.87 49.65 8.77 4.86 1.24 2.88 0.01 26.56 6.03 80 N C C 102.25 3.46 16.08 20.37 109.42 -159.27 -108.96 90.66 83.55 13.47 2.98 63.84 12.19 6.95 0.87 2.22 0.00 10.80 3.13 81 G C C 44.34 6.53 11.65 19.51 111.09 -148.82 69.90 7.68 85.64 3.73 10.63 31.62 23.76 30.88 2.20 8.07 0.01 2.16 1.30 82 E C T 144.41 2.32 12.53 16.08 107.24 -53.45 -86.12 98.88 86.65 1.98 11.37 22.37 23.13 41.35 2.56 8.51 0.01 1.02 1.05 83 G C C 53.47 3.15 12.18 16.77 106.18 13.71 84.04 1.96 84.32 2.05 13.63 30.33 28.48 26.04 3.38 9.67 0.01 0.94 1.15 84 S C C 61.87 6.87 10.52 18.86 113.99 134.06 -87.52 139.10 80.72 3.81 15.47 48.63 18.16 13.67 4.76 11.02 0.01 2.04 1.72 85 S C C 78.68 3.99 12.39 18.02 109.25 -148.31 -91.92 97.23 74.33 7.75 17.92 48.04 13.89 12.32 5.38 12.78 0.01 4.75 2.83 86 W C C 138.73 8.19 10.42 19.63 111.57 -156.18 -95.19 110.86 76.35 7.79 15.86 46.17 17.72 12.76 5.46 10.32 0.02 4.65 2.90 87 S C C 72.41 4.71 12.03 18.32 114.84 80.16 -94.57 126.23 83.01 5.78 11.21 51.85 20.98 10.35 4.22 6.88 0.01 3.29 2.42 88 H C C 111.85 5.91 10.49 18.11 117.26 -140.37 -96.71 134.05 94.85 2.39 2.75 65.43 28.02 1.76 1.56 1.02 0.00 1.14 1.07 89 P C C 77.36 5.65 9.98 17.48 111.14 -109.72 -67.46 147.71 80.34 2.39 17.27 68.58 5.36 6.58 4.44 12.76 0.00 1.55 0.74 90 Q C C 132.71 2.70 10.04 14.36 102.35 -125.75 -75.67 -8.75 66.52 4.79 28.69 37.40 14.41 15.57 5.85 22.41 0.01 2.87 1.47 91 F C C 136.56 4.06 7.94 13.72 106.26 63.98 -89.45 41.12 60.52 9.07 30.41 34.86 12.47 15.03 6.16 23.20 0.04 5.89 2.36 92 E C C 130.85 3.25 8.04 13.16 108.90 111.99 -89.09 108.90 76.14 6.07 17.79 67.05 2.86 8.11 5.45 10.49 0.00 4.09 1.94 93 K C C 149.90 2.56 10.66 14.88 110.29 -141.90 -86.90 120.37 99.83 0.13 0.04 99.72 0.10 0.07 0.02 0.00 0.00 0.07 0.02