# 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 71.34 5.11 14.24 20.61 113.89 -142.84 -85.68 146.34 99.87 0.03 0.09 99.67 0.13 0.13 0.05 0.01 0.00 0.01 0.01 1 G C C 45.66 5.55 11.84 18.64 107.18 -122.01 -76.74 -30.47 66.85 0.75 32.40 53.52 3.28 11.50 18.53 12.35 0.00 0.36 0.47 2 D C C 99.10 3.82 12.87 17.91 103.48 52.27 -79.01 -5.68 52.34 1.28 46.38 28.00 9.95 14.89 24.17 21.70 0.02 0.63 0.65 3 E H G 104.33 8.29 13.25 22.31 97.39 62.81 -73.35 -23.99 36.86 1.69 61.46 19.30 6.81 10.94 29.17 32.24 0.02 0.99 0.54 4 A H G 55.35 8.45 14.46 23.97 95.83 69.36 -71.34 -21.88 40.32 2.18 57.51 15.73 8.20 16.46 27.34 30.15 0.07 1.26 0.80 5 D C G 77.48 8.20 18.21 26.96 99.19 57.77 -87.73 4.98 55.18 3.96 40.86 23.69 10.53 22.60 14.41 24.97 0.05 2.59 1.15 6 R C C 71.22 14.98 18.88 33.29 105.36 101.15 -95.40 32.58 67.71 27.09 5.20 48.47 15.17 4.32 1.73 3.09 0.01 25.82 1.38 7 T E E 34.42 14.74 22.16 37.05 126.24 116.35 -115.51 141.54 12.20 87.68 0.12 11.08 1.09 0.10 0.05 0.06 0.00 87.02 0.59 8 L E E 10.21 22.86 21.41 43.99 123.01 -163.91 -118.68 132.93 1.23 98.77 0.01 1.10 0.07 0.00 0.00 0.00 0.00 98.77 0.05 9 F E E 55.09 14.17 26.64 40.64 118.10 -152.58 -104.41 127.67 0.54 99.45 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.03 10 V E E 5.32 24.94 19.82 45.08 120.43 -167.73 -118.23 127.12 2.24 97.74 0.02 2.20 0.06 0.01 0.01 0.01 0.00 97.57 0.15 11 G E E 17.18 11.96 24.30 36.40 132.54 161.53 -123.36 170.46 23.01 76.84 0.15 12.18 7.72 3.01 0.01 0.15 0.00 76.55 0.38 12 N C S 83.90 7.48 25.25 33.42 95.56 12.34 58.53 50.72 84.07 15.79 0.14 28.55 45.58 8.75 0.01 0.17 0.00 16.60 0.34 13 L C C 13.05 24.63 12.11 36.40 117.23 174.94 -79.55 141.33 84.34 15.46 0.20 80.06 4.22 0.32 0.07 0.14 0.00 10.49 4.70 14 E C C 74.49 8.92 20.18 29.61 113.87 -112.92 -74.27 141.05 97.17 2.69 0.14 96.55 0.90 0.27 0.03 0.06 0.00 1.46 0.72 15 T C T 92.16 7.28 15.79 24.55 92.76 -118.67 -65.35 -21.04 98.97 0.61 0.41 1.74 8.77 88.56 0.04 0.35 0.00 0.42 0.11 16 K C T 147.45 2.08 20.04 21.75 93.71 60.35 -85.93 -4.30 98.65 0.93 0.42 2.89 7.29 88.54 0.04 0.37 0.00 0.76 0.10 17 V C C 11.96 22.98 9.35 31.70 114.97 113.36 -75.54 133.11 96.97 2.86 0.17 80.66 16.10 0.19 0.09 0.07 0.00 1.00 1.88 18 T C C 63.18 4.03 24.40 27.77 127.10 -150.15 -96.97 162.98 95.12 4.58 0.29 95.18 0.35 0.04 0.24 0.02 0.00 0.66 3.52 19 E H H 69.44 17.50 14.67 31.43 91.05 -108.57 -58.10 -38.70 1.02 0.00 98.98 0.16 0.10 0.59 98.82 0.32 0.00 0.00 0.00 20 E H H 114.20 3.75 21.94 26.02 91.24 55.34 -62.79 -39.72 0.31 0.00 99.69 0.03 0.01 0.20 99.43 0.32 0.00 0.00 0.00 21 L H H 34.96 12.21 20.20 33.24 91.87 50.43 -65.20 -41.44 0.10 0.00 99.90 0.01 0.00 0.06 99.58 0.34 0.00 0.00 0.00 22 L H H 2.37 26.33 17.73 44.51 91.31 50.00 -63.67 -43.08 0.08 0.00 99.92 0.01 0.00 0.05 99.83 0.11 0.00 0.00 0.00 23 F H H 41.01 16.91 21.00 37.35 91.59 50.95 -63.33 -42.00 0.17 0.00 99.83 0.01 0.00 0.14 99.76 0.09 0.00 0.00 0.00 24 E H H 96.86 4.16 25.22 29.13 91.61 50.92 -64.16 -42.04 0.41 0.00 99.59 0.01 0.01 0.39 99.42 0.17 0.00 0.00 0.00 25 L H H 16.63 17.94 20.85 38.76 91.85 49.56 -64.55 -42.98 1.07 0.00 98.93 0.03 0.03 0.98 98.59 0.37 0.00 0.00 0.00 26 F H H 4.14 26.11 17.93 44.18 91.88 48.56 -65.28 -40.38 2.97 0.01 97.02 0.19 0.21 2.43 95.96 1.19 0.00 0.00 0.00 27 H H H 89.08 12.04 20.48 32.17 91.57 53.40 -65.74 -30.63 11.98 0.06 87.96 0.84 0.69 10.14 81.95 6.27 0.04 0.03 0.03 28 Q H H 110.44 5.00 22.61 28.10 91.45 56.41 -71.25 -21.92 23.46 0.07 76.47 0.98 1.08 21.52 71.99 4.31 0.05 0.03 0.04 29 A H H 19.32 18.46 16.78 34.81 97.12 50.59 -88.87 -16.42 36.68 0.24 63.08 2.53 5.31 29.00 59.34 3.41 0.13 0.09 0.18 30 G C S 17.94 10.24 23.10 33.91 143.09 -67.58 143.04 179.25 98.65 1.21 0.15 13.39 83.04 2.42 0.03 0.10 0.00 0.85 0.17 31 P C C 57.61 9.25 22.67 32.41 112.57 -40.98 -69.90 138.86 96.34 3.58 0.08 80.12 14.63 1.28 0.01 0.11 0.00 3.63 0.22 32 V E E 19.38 22.47 13.93 36.13 112.40 -137.16 -89.41 122.58 5.78 94.21 0.02 5.73 0.18 0.01 0.01 0.01 0.00 92.36 1.71 33 I E E 75.01 8.27 22.04 30.92 100.23 -170.36 -91.81 -31.42 6.60 93.39 0.01 4.16 2.24 0.05 0.00 0.00 0.00 93.50 0.04 34 K E E 97.04 5.21 24.64 30.66 137.48 0.71 -153.16 146.38 1.04 98.96 0.00 0.79 0.12 0.01 0.00 0.00 0.00 99.08 0.01 35 V E E 22.44 23.44 12.82 35.50 125.59 -169.42 -130.39 131.70 1.16 98.83 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.84 0.02 36 K E E 103.69 5.16 25.50 31.12 123.18 -172.43 -122.18 135.95 5.10 94.89 0.00 4.84 0.21 0.01 0.00 0.00 0.00 94.68 0.25 37 I C C 27.82 20.54 13.99 34.17 116.59 -150.30 -101.27 126.91 64.82 35.16 0.02 62.46 1.31 0.04 0.00 0.01 0.00 35.92 0.25 38 P C C 38.42 9.66 16.46 27.94 115.23 -119.48 -68.45 149.94 82.58 17.32 0.10 74.43 6.26 0.34 0.01 0.08 0.00 18.51 0.37 39 K E B 115.67 6.63 13.54 21.99 123.58 -133.59 -110.53 145.06 21.60 78.15 0.25 16.95 1.44 0.09 0.19 0.05 0.00 12.99 68.30 40 D C C 52.29 7.91 9.43 19.17 122.24 -119.33 -79.06 171.39 97.60 2.29 0.11 97.11 0.78 0.19 0.03 0.05 0.00 1.13 0.71 41 K C T 182.22 0.55 10.07 10.37 90.53 -91.19 -63.78 -23.86 99.10 0.35 0.55 1.76 8.20 89.09 0.03 0.59 0.00 0.25 0.07 42 D C T 121.82 0.71 10.15 10.42 94.57 53.59 -88.04 1.02 99.35 0.10 0.54 0.94 8.01 90.41 0.03 0.52 0.00 0.06 0.03 43 G C S 48.90 3.54 9.94 15.39 96.32 -105.63 83.09 6.42 99.32 0.36 0.32 12.53 85.78 1.17 0.03 0.18 0.00 0.13 0.18 44 K C C 115.30 3.06 13.17 17.85 118.70 134.89 -86.10 142.85 98.43 1.50 0.07 80.71 17.58 0.31 0.02 0.04 0.00 0.71 0.62 45 P E B 66.72 8.70 13.45 23.61 113.63 -104.34 -64.78 145.54 23.46 76.07 0.47 18.87 1.72 0.24 0.33 0.14 0.00 19.14 59.56 46 K C C 71.41 13.26 14.48 28.05 112.70 -140.70 -86.69 127.67 79.90 19.53 0.57 66.99 10.37 1.46 0.10 0.54 0.00 19.42 1.12 47 Q C C 88.19 9.92 20.55 30.43 98.61 -143.09 -88.52 4.40 67.37 32.15 0.48 35.36 30.08 2.04 0.06 0.44 0.00 31.26 0.75 48 F E E 40.21 16.34 20.00 36.36 133.15 79.07 -128.27 151.96 28.82 71.08 0.10 22.75 5.70 0.33 0.02 0.08 0.00 70.60 0.51 49 A E E 6.52 20.68 20.99 41.82 132.81 -168.33 -133.98 153.13 3.91 96.08 0.01 3.50 0.28 0.02 0.00 0.00 0.00 96.07 0.13 50 F E E 32.08 17.53 25.71 42.79 122.53 -140.83 -114.85 134.54 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.02 51 V E E 3.93 24.80 22.77 47.60 122.17 -165.51 -117.87 130.48 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 52 N E E 29.05 14.71 26.82 41.67 117.65 -158.53 -108.43 126.70 0.62 99.37 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.02 53 F E E 10.88 23.00 16.62 39.78 126.03 -166.79 -110.26 146.78 9.60 90.38 0.02 9.52 0.26 0.02 0.01 0.01 0.00 89.60 0.58 54 K C S 105.90 7.39 22.15 30.15 95.34 -143.85 -76.29 -24.80 93.69 6.17 0.15 19.31 72.39 1.42 0.03 0.09 0.00 6.56 0.20 55 H C S 70.77 8.70 19.52 29.09 126.48 38.74 -128.29 141.44 96.79 1.69 1.53 19.24 74.60 3.34 0.68 0.57 0.00 0.83 0.74 56 E C G 109.68 10.05 15.89 26.64 92.60 -132.88 -62.09 -33.93 50.97 0.45 48.57 5.34 12.11 34.04 12.61 35.31 0.03 0.23 0.34 57 V C T 91.99 3.65 21.42 25.11 91.93 60.58 -67.78 -29.89 51.35 0.37 48.28 3.63 7.92 38.80 13.36 35.75 0.05 0.18 0.31 58 S H G 14.20 17.08 16.51 34.02 94.02 51.98 -78.64 -23.77 30.07 0.28 69.64 6.24 4.04 18.16 35.05 36.18 0.02 0.14 0.17 59 V H H 10.86 23.24 15.82 38.65 92.33 69.34 -60.55 -44.69 2.71 0.00 97.28 0.70 0.41 1.33 96.76 0.80 0.00 0.00 0.00 60 P H H 64.34 6.00 23.68 29.95 91.48 50.55 -63.48 -41.15 0.88 0.00 99.12 0.17 0.06 0.54 98.57 0.66 0.00 0.00 0.00 61 Y H H 97.99 6.01 24.53 30.83 91.83 49.48 -64.77 -41.91 0.21 0.00 99.79 0.03 0.01 0.13 99.40 0.42 0.00 0.00 0.00 62 A H H 2.92 24.46 17.84 42.59 91.33 49.97 -63.71 -43.03 0.17 0.00 99.83 0.02 0.01 0.11 99.67 0.18 0.00 0.00 0.00 63 M H H 39.56 18.71 20.14 37.72 91.47 50.45 -62.84 -40.83 0.23 0.00 99.77 0.02 0.01 0.17 99.60 0.20 0.00 0.00 0.00 64 N H H 108.07 2.21 24.58 26.27 91.66 50.51 -64.64 -38.86 0.66 0.00 99.33 0.03 0.03 0.58 98.84 0.52 0.00 0.00 0.00 65 L H H 52.24 12.79 20.54 33.26 92.80 49.53 -69.00 -35.32 2.46 0.00 97.54 0.07 0.07 2.37 96.71 0.79 0.00 0.00 0.00 66 L H H 7.07 24.43 15.28 39.66 94.54 47.33 -83.79 -18.59 12.10 0.02 87.88 0.40 0.49 11.25 86.32 1.51 0.01 0.01 0.01 67 N C T 76.55 11.94 17.89 29.90 109.06 100.93 -66.90 125.43 72.55 0.25 27.21 1.33 1.76 67.45 27.40 1.79 0.01 0.10 0.17 68 G C T 49.09 3.63 20.84 24.88 96.70 17.56 86.93 -1.78 92.91 0.44 6.64 3.38 3.60 86.55 4.73 1.34 0.00 0.31 0.10 69 I C C 40.49 16.02 12.50 28.87 118.15 127.72 -80.57 142.39 84.69 14.85 0.47 76.14 6.93 0.71 0.27 0.20 0.00 15.00 0.75 70 K E E 125.52 4.38 20.88 26.19 116.18 -135.17 -99.63 129.03 8.13 91.69 0.18 7.47 0.57 0.13 0.12 0.07 0.00 87.67 3.95 71 L E E 15.36 22.52 11.23 33.05 119.38 -176.81 -126.49 120.45 5.47 94.35 0.17 3.28 1.54 0.70 0.07 0.12 0.00 90.98 3.32 72 Y C T 113.32 9.82 15.34 26.43 93.51 -16.25 55.66 40.84 98.85 0.76 0.39 1.00 4.50 93.53 0.04 0.28 0.00 0.56 0.09 73 G C T 60.58 1.71 16.71 18.47 94.90 -51.32 80.31 2.44 99.54 0.19 0.28 0.99 6.28 92.29 0.02 0.25 0.00 0.14 0.02 74 R E E 107.01 7.38 14.66 23.75 124.15 106.20 -113.38 139.82 7.19 92.77 0.03 4.18 3.23 0.22 0.01 0.02 0.00 89.44 2.88 75 P E E 72.60 6.73 18.84 26.37 113.56 -108.84 -67.67 141.49 10.78 89.20 0.02 10.29 0.41 0.04 0.01 0.01 0.00 86.44 2.81 76 I C C 11.92 23.49 12.21 35.72 119.16 -145.77 -103.33 134.08 82.94 17.01 0.05 80.90 1.37 0.15 0.01 0.04 0.00 17.24 0.29 77 K C E 102.99 5.45 25.99 31.83 114.72 -147.15 -100.91 124.08 50.10 49.83 0.07 46.30 2.37 0.19 0.01 0.05 0.00 50.36 0.71 78 I E E 11.26 24.97 13.22 38.33 122.85 -167.43 -116.79 132.82 10.24 89.75 0.01 10.21 0.30 0.01 0.00 0.00 0.00 89.12 0.35 79 Q E E 84.66 5.41 25.17 30.98 128.13 -174.95 -125.10 144.13 2.58 97.41 0.00 2.58 0.08 0.01 0.00 0.00 0.00 97.20 0.14 80 F E E 68.29 18.25 13.05 30.34 116.79 -129.62 -90.10 136.29 5.96 94.04 0.01 6.03 0.13 0.01 0.00 0.00 0.00 93.15 0.67 81 R C C 114.24 7.84 13.78 22.79 117.61 -139.95 -94.72 143.99 73.86 26.09 0.04 73.35 0.37 0.10 0.01 0.03 0.00 25.73 0.41 82 S C C 86.14 2.87 15.58 19.51 109.44 -107.60 -77.59 139.93 99.82 0.17 0.01 99.69 0.15 0.03 0.00 0.00 0.00 0.13 0.01