# 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 S C C 62.79 7.63 12.92 21.63 115.95 -160.49 -97.44 138.31 99.94 0.04 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.00 1 H C C 133.78 3.90 11.73 17.30 112.24 -158.67 -97.35 118.24 90.30 2.71 6.99 84.44 1.49 5.56 2.07 3.69 0.00 1.54 1.20 2 L C C 96.35 7.72 9.42 18.32 108.92 -151.71 -88.23 104.78 82.48 3.66 13.86 48.01 16.34 18.07 2.58 11.51 0.00 2.11 1.38 3 D C C 93.94 5.19 11.84 18.65 108.96 -159.18 -90.88 107.54 80.95 3.31 15.74 47.23 17.40 16.02 2.58 13.68 0.00 2.00 1.08 4 K C C 136.41 4.34 14.09 19.94 106.88 -150.61 -90.18 81.17 83.11 3.98 12.91 50.37 22.64 10.22 2.50 10.47 0.00 2.46 1.34 5 V C C 61.99 12.94 12.35 25.53 116.78 154.50 -94.63 131.27 88.42 6.61 4.97 70.07 14.37 4.14 1.60 3.27 0.00 4.61 1.94 6 Q C C 104.99 5.84 20.83 27.51 119.40 -149.36 -101.05 138.08 90.28 8.91 0.81 76.32 12.90 1.05 0.30 0.46 0.00 7.94 1.04 7 P C C 20.81 22.45 12.34 34.20 115.00 -111.76 -69.28 142.94 82.52 17.07 0.41 78.16 3.04 0.53 0.12 0.22 0.00 17.36 0.57 8 V E E 69.58 6.58 24.04 31.08 121.22 -157.06 -115.66 131.53 27.26 72.42 0.32 25.38 1.43 0.25 0.18 0.17 0.00 69.46 3.13 9 I E E 47.39 19.24 12.66 31.30 110.89 -133.86 -85.78 120.89 19.38 80.38 0.23 18.74 0.59 0.13 0.15 0.10 0.00 77.55 2.73 10 K E E 116.45 4.87 19.35 25.22 100.69 176.36 -90.49 -32.16 31.25 68.24 0.51 21.59 7.74 2.43 0.13 0.39 0.00 66.96 0.75 11 N C E 86.99 5.07 19.10 25.24 133.97 3.58 -149.39 145.83 53.87 45.43 0.71 29.68 19.61 6.12 0.10 0.65 0.00 43.01 0.85 12 S C C 43.97 17.27 11.21 27.19 132.36 170.90 -143.53 148.07 70.06 28.93 1.00 47.17 14.68 8.35 0.16 0.96 0.00 27.31 1.36 13 D C S 118.22 1.41 20.47 20.66 100.00 81.04 -100.56 22.18 86.70 12.73 0.57 36.65 39.77 10.76 0.08 0.56 0.00 11.14 1.04 14 M C S 35.10 18.07 8.12 25.10 124.05 108.70 -88.94 153.20 93.74 6.05 0.21 37.96 56.19 0.67 0.08 0.11 0.00 3.54 1.43 15 S C C 58.18 2.68 18.21 20.52 117.13 -101.52 -66.76 156.29 99.08 0.72 0.20 98.57 0.66 0.10 0.12 0.03 0.00 0.32 0.19 16 V H H 102.52 4.73 13.11 19.82 91.48 -108.55 -57.94 -37.80 2.21 0.00 97.78 0.45 0.35 1.19 97.35 0.66 0.00 0.00 0.00 17 E H H 128.76 1.59 18.37 19.15 91.56 53.28 -63.82 -40.16 1.48 0.00 98.51 0.21 0.14 0.99 97.77 0.90 0.00 0.00 0.00 18 M H H 41.52 13.22 16.15 30.10 92.06 48.34 -66.40 -39.86 0.80 0.00 99.20 0.18 0.07 0.44 98.35 0.96 0.00 0.00 0.00 19 Q H H 34.11 17.99 15.65 33.24 91.51 52.94 -62.51 -42.50 0.34 0.00 99.65 0.09 0.03 0.15 99.61 0.11 0.00 0.00 0.00 20 K H H 113.22 3.44 23.83 27.07 91.31 50.23 -63.85 -41.18 0.26 0.00 99.74 0.04 0.01 0.12 99.79 0.03 0.00 0.00 0.00 21 E H H 75.83 6.70 23.87 30.95 91.37 49.90 -63.99 -41.99 0.18 0.00 99.82 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 22 V H H 3.15 24.93 19.00 44.09 91.45 49.72 -63.81 -43.31 0.09 0.00 99.91 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 23 E H H 36.71 16.99 23.08 39.28 91.20 50.43 -62.56 -42.53 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 24 E H H 103.86 2.70 28.05 29.94 91.27 50.01 -63.36 -42.49 0.05 0.00 99.95 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 25 V H H 18.46 14.67 23.49 38.71 91.49 49.10 -63.70 -43.27 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 26 A H H 1.29 26.73 18.69 45.99 91.16 50.16 -63.32 -42.84 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 27 K H H 87.50 10.46 24.70 35.02 91.37 50.95 -63.00 -41.59 0.25 0.00 99.75 0.01 0.01 0.20 99.74 0.04 0.00 0.00 0.00 28 K H H 106.56 3.01 26.61 28.82 91.47 49.58 -64.15 -41.55 0.75 0.00 99.25 0.03 0.03 0.64 99.13 0.17 0.00 0.00 0.00 29 A H H 6.52 18.29 17.74 36.96 91.36 50.37 -63.63 -42.25 1.28 0.00 98.71 0.08 0.06 0.95 97.29 1.61 0.00 0.00 0.00 30 I H H 25.06 20.09 15.78 35.39 91.62 52.48 -65.31 -33.31 3.46 0.01 96.53 0.26 0.17 2.71 87.19 9.65 0.00 0.00 0.00 31 D H H 107.96 2.19 21.03 23.14 91.73 55.09 -70.02 -25.98 13.95 0.01 86.03 0.36 0.44 13.21 77.53 8.44 0.01 0.00 0.01 32 Y H H 141.24 3.85 18.49 22.81 97.42 43.59 -91.14 -19.04 27.62 0.04 72.34 0.92 1.65 24.85 68.05 4.46 0.03 0.01 0.03 33 C C C 25.10 17.48 9.41 26.27 123.31 57.83 -119.90 139.66 93.56 0.42 6.02 78.95 8.47 5.29 6.04 0.67 0.00 0.12 0.46 34 N C C 123.99 2.39 18.23 21.29 98.98 -170.00 -96.30 -7.74 99.47 0.34 0.19 54.64 43.35 1.51 0.09 0.07 0.00 0.10 0.24 35 T C S 65.64 4.14 19.68 24.28 125.95 62.24 -115.91 149.07 98.48 1.00 0.53 23.90 74.18 0.41 0.47 0.05 0.00 0.15 0.84 36 D H H 57.86 16.80 13.51 29.54 92.45 -121.50 -60.01 -38.91 2.37 0.00 97.62 0.41 0.50 1.32 97.01 0.76 0.00 0.00 0.00 37 K H H 129.38 4.08 19.87 25.15 91.32 54.96 -63.47 -39.57 1.06 0.00 98.94 0.12 0.08 0.73 98.10 0.96 0.00 0.00 0.00 38 E H H 89.50 4.17 22.57 26.58 91.78 49.28 -66.20 -39.76 0.44 0.00 99.56 0.07 0.03 0.26 98.64 0.99 0.00 0.00 0.00 39 I H H 6.74 21.30 17.52 39.32 91.42 50.66 -63.25 -44.02 0.16 0.00 99.84 0.02 0.01 0.09 99.70 0.18 0.00 0.00 0.00 40 A H H 7.49 19.94 19.76 39.92 90.89 50.25 -62.36 -42.56 0.16 0.00 99.84 0.01 0.01 0.10 99.80 0.08 0.00 0.00 0.00 41 T H H 64.81 3.61 25.96 29.08 91.34 50.96 -63.29 -41.89 0.18 0.00 99.82 0.01 0.00 0.14 99.78 0.06 0.00 0.00 0.00 42 F H H 63.37 8.73 24.01 33.41 91.72 49.84 -64.31 -42.59 0.16 0.00 99.84 0.01 0.00 0.12 99.81 0.06 0.00 0.00 0.00 43 I H H 2.56 25.66 18.23 44.31 91.42 49.38 -63.45 -43.73 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 44 K H H 67.01 15.91 20.75 35.48 91.65 51.38 -61.80 -43.07 0.14 0.00 99.86 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 45 D H H 87.57 2.12 24.63 25.09 91.76 49.19 -64.76 -41.77 0.29 0.00 99.71 0.01 0.01 0.22 99.68 0.08 0.00 0.00 0.00 46 D H H 48.05 8.37 20.69 29.99 92.09 48.35 -65.93 -40.97 1.00 0.00 99.00 0.05 0.04 0.80 98.93 0.18 0.00 0.00 0.00 47 F H H 7.31 22.90 13.24 36.29 91.80 49.31 -64.87 -42.34 2.53 0.01 97.46 0.22 0.21 1.93 96.96 0.68 0.00 0.00 0.00 48 R H H 107.95 9.80 16.36 26.77 91.98 53.63 -64.26 -38.29 3.13 0.01 96.86 0.33 0.20 2.31 94.53 2.62 0.00 0.00 0.00 49 S H H 84.94 1.16 18.61 18.22 92.83 51.69 -68.34 -35.12 7.49 0.01 92.50 0.31 0.35 6.70 89.36 3.27 0.01 0.00 0.00 50 R H H 118.66 6.70 16.04 23.71 97.41 42.52 -82.86 -33.45 11.13 0.02 88.86 0.46 0.85 9.79 86.77 2.10 0.02 0.01 0.01 51 Y H H 54.92 15.86 10.95 26.38 105.69 29.24 -112.15 5.07 30.05 0.40 69.55 5.79 10.12 16.07 66.11 1.39 0.09 0.10 0.33 52 H C C 153.60 1.80 18.56 20.03 98.99 -115.03 57.88 46.48 98.21 0.54 1.25 61.87 16.67 19.78 0.38 0.75 0.00 0.26 0.30 53 G C S 36.05 7.51 16.23 24.53 114.59 -37.58 94.33 -146.52 99.01 0.58 0.42 15.31 69.58 14.18 0.04 0.38 0.00 0.40 0.12 54 T C C 65.83 7.39 19.79 27.86 117.58 57.15 -100.33 132.34 83.45 16.06 0.49 58.51 15.84 7.63 0.06 0.56 0.00 16.48 0.90 55 W E E 27.27 21.84 15.15 36.47 129.83 171.92 -125.19 147.61 38.81 61.15 0.04 35.48 2.35 0.12 0.01 0.03 0.00 61.16 0.84 56 H E E 62.37 11.74 26.38 38.30 123.82 -153.76 -118.73 138.27 7.79 92.20 0.02 6.77 0.61 0.04 0.00 0.01 0.00 92.35 0.21 57 C E E 9.01 23.96 19.22 43.06 122.93 -159.30 -117.30 132.77 1.76 98.23 0.01 1.55 0.10 0.01 0.00 0.00 0.00 98.28 0.05 58 I E E 30.39 14.01 25.14 39.60 119.14 -165.16 -113.73 126.66 1.03 98.97 0.01 0.97 0.03 0.00 0.00 0.00 0.00 98.87 0.11 59 V E E 23.48 19.02 19.59 38.41 121.21 -167.04 -115.09 131.58 7.65 92.29 0.06 6.78 0.60 0.08 0.02 0.03 0.00 92.18 0.31 60 G C E 20.44 11.65 20.08 32.12 137.25 88.92 145.86 -178.41 58.39 39.63 1.98 25.41 28.60 6.41 0.29 1.60 0.02 36.26 1.42 61 R C S 150.43 5.89 17.79 24.62 97.46 -86.06 -78.42 -23.22 81.22 8.86 9.92 12.06 40.45 30.18 1.22 7.81 0.06 6.28 1.94 62 N C T 106.63 3.57 17.57 21.80 110.14 35.27 -106.83 95.58 82.56 4.63 12.81 21.40 29.17 32.60 1.54 11.04 0.02 2.84 1.40 63 F C T 85.25 14.98 10.61 24.87 112.91 119.17 -92.32 121.55 69.33 10.09 20.57 26.83 17.06 27.23 3.91 15.68 0.10 6.24 2.95 64 G C C 45.10 6.08 15.70 22.93 111.00 99.05 -74.16 28.67 70.82 11.80 17.38 28.69 16.19 27.86 3.32 13.26 0.06 8.41 2.20 65 S C C 68.37 7.73 13.49 22.25 108.58 129.59 -100.74 34.82 61.50 15.30 23.20 30.86 16.31 16.72 4.54 17.58 0.09 11.87 2.03 66 F C C 135.66 5.08 15.12 21.62 115.47 94.97 -105.18 122.75 54.54 26.51 18.95 30.83 13.41 12.96 5.77 12.46 0.13 21.08 3.36 67 V C C 61.82 14.08 11.10 25.03 120.50 87.60 -110.71 130.25 61.50 32.16 6.34 47.65 10.06 3.50 3.54 3.19 0.03 27.36 4.67 68 T C C 87.08 5.21 16.17 22.76 113.50 -168.17 -106.61 124.47 70.07 26.87 3.06 56.38 9.72 3.34 1.41 1.71 0.00 24.60 2.84 69 F C C 94.02 11.80 12.59 24.81 125.13 112.51 -120.96 140.04 73.19 24.39 2.42 55.36 13.78 3.77 1.02 1.61 0.01 20.24 4.21 70 E C C 103.88 7.01 15.38 23.55 115.59 -135.93 -91.89 133.39 82.34 15.89 1.77 70.10 9.00 2.68 0.65 1.18 0.00 13.34 3.05 71 R C C 130.25 8.73 14.06 23.69 108.48 -144.63 -85.32 75.81 82.39 8.29 9.33 38.89 29.40 15.01 0.79 8.47 0.00 6.18 1.26 72 S C S 62.50 6.76 18.12 25.30 104.86 62.26 -90.07 -6.66 82.32 10.36 7.32 20.29 43.71 18.56 0.34 7.19 0.00 9.01 0.90 73 Y C C 76.32 12.92 16.73 29.90 111.30 45.67 -109.89 77.73 58.25 34.76 6.99 37.85 12.92 7.15 0.41 6.58 0.00 34.27 0.81 74 Y E E 43.97 17.60 17.78 35.18 129.33 128.09 -122.91 145.41 14.42 85.50 0.08 12.52 1.40 0.23 0.02 0.05 0.00 85.45 0.33 75 I E E 19.88 18.59 21.02 39.86 123.07 -161.33 -119.56 133.67 1.41 98.58 0.01 1.32 0.06 0.01 0.00 0.00 0.00 98.57 0.03 76 Y E E 64.32 14.69 23.33 37.82 121.02 -160.72 -111.15 130.84 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 77 L E E 17.87 19.70 19.78 39.51 127.23 -173.71 -125.88 139.45 0.16 99.84 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 78 Y E E 87.41 11.28 21.59 33.33 118.38 -153.97 -109.77 128.11 0.58 99.42 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.40 0.02 79 V E E 27.53 17.44 15.94 33.41 112.17 -177.07 -124.99 105.89 10.61 89.34 0.05 8.31 1.49 0.28 0.01 0.04 0.00 89.69 0.18 80 G C T 42.71 4.46 19.37 24.45 110.30 -56.26 61.40 -129.74 99.01 0.67 0.32 0.95 16.67 81.47 0.01 0.32 0.00 0.51 0.07 81 Q C T 107.94 7.74 18.29 26.84 96.11 -17.12 -92.98 -0.72 99.51 0.26 0.23 0.87 15.25 83.42 0.01 0.24 0.00 0.19 0.03 82 L E E 26.71 18.18 17.59 35.89 122.97 89.47 -104.85 137.07 7.18 92.77 0.05 4.90 1.67 0.31 0.01 0.03 0.00 92.94 0.13 83 A E E 12.36 17.59 22.99 40.75 121.70 -160.60 -113.30 133.36 0.45 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 84 I E E 6.78 23.00 23.99 46.80 120.98 -165.18 -118.12 128.26 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 85 L E E 11.53 19.85 27.19 46.62 116.54 -158.83 -105.74 124.35 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 86 L E E 6.24 23.81 24.55 48.01 119.16 -165.05 -111.46 127.53 0.31 99.69 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 87 F E E 21.23 18.30 24.19 42.13 129.78 -172.97 -125.24 146.62 0.96 99.04 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.08 0.03 88 K E E 60.69 15.25 20.15 35.07 119.20 -137.98 -102.29 134.23 13.60 86.38 0.02 12.50 0.71 0.07 0.00 0.01 0.00 86.20 0.51 89 T C C 50.51 13.26 15.94 29.24 115.67 -166.73 -112.43 143.84 82.18 17.77 0.05 80.22 0.75 0.36 0.01 0.03 0.00 18.16 0.47 90 G C C 49.21 4.40 18.67 23.60 105.43 -41.58 79.47 -2.17 99.91 0.09 0.01 99.67 0.19 0.08 0.00 0.00 0.00 0.05 0.01