# 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 68.65 12.80 13.98 27.14 123.44 -165.70 -109.59 139.38 99.20 0.80 0.01 99.12 0.23 0.04 0.00 0.00 0.00 0.56 0.04 1 Q E B 96.97 5.70 13.24 20.65 124.12 -165.24 -115.50 143.35 11.26 88.59 0.16 9.94 0.42 0.04 0.18 0.02 0.00 19.99 69.41 2 N C C 62.95 8.01 9.16 18.64 121.98 -138.52 -88.09 173.65 86.32 13.36 0.32 84.98 1.44 0.48 0.10 0.16 0.00 9.88 2.94 3 D C T 128.77 1.17 10.44 12.36 92.75 -89.80 -68.53 -17.94 96.42 2.02 1.56 2.27 7.56 86.62 0.09 1.52 0.00 1.66 0.29 4 A C T 82.36 1.58 10.23 12.48 94.90 54.94 -87.63 -1.16 98.20 0.27 1.53 0.78 5.83 91.69 0.07 1.39 0.00 0.15 0.08 5 G C S 49.67 3.11 11.05 15.66 97.97 -102.73 84.49 6.10 97.76 1.25 0.99 12.69 80.57 4.73 0.09 0.77 0.00 0.71 0.44 6 E C C 104.61 3.94 11.49 17.43 119.46 132.44 -89.85 142.50 92.46 7.25 0.29 75.55 15.78 1.26 0.10 0.22 0.00 4.56 2.53 7 F E B 120.10 6.71 12.21 20.65 116.56 -130.57 -95.47 131.29 21.06 78.54 0.40 16.13 2.38 0.26 0.34 0.12 0.00 23.29 57.48 8 V C C 56.29 10.80 12.20 24.34 121.07 -164.43 -112.92 135.36 74.45 25.25 0.30 68.20 4.41 0.64 0.10 0.22 0.00 23.88 2.55 9 D C C 79.54 7.39 15.53 24.16 112.00 -134.31 -88.75 121.27 80.43 19.03 0.54 69.97 8.10 1.62 0.16 0.43 0.00 16.34 3.37 10 L C C 78.60 11.08 14.08 25.75 100.49 -165.63 -88.76 -2.77 81.35 17.46 1.19 40.96 32.53 9.02 0.29 1.00 0.00 13.11 3.08 11 Y C C 115.09 8.78 16.44 25.95 108.73 93.87 -95.73 91.30 72.22 26.81 0.97 38.42 28.69 6.72 0.29 0.83 0.01 17.72 7.32 12 V C C 53.08 12.00 14.05 26.98 116.35 138.22 -106.74 119.14 78.39 21.31 0.30 58.01 20.56 0.71 0.12 0.21 0.00 16.87 3.50 13 P C C 59.13 8.57 15.80 25.75 110.89 -117.46 -66.05 141.39 79.43 16.65 3.91 72.26 4.22 2.31 1.30 2.61 0.00 13.37 3.93 14 R C G 135.53 8.31 13.67 23.01 96.20 -128.86 -65.87 -26.43 55.83 8.04 36.13 22.88 17.60 18.20 5.76 28.10 0.08 5.18 2.19 15 K C G 139.79 2.85 16.39 20.08 96.33 65.18 -73.14 -18.36 48.19 14.03 37.79 16.79 15.81 20.22 6.61 27.48 0.32 9.52 3.24 16 C C C 55.80 9.92 12.98 23.91 101.55 56.10 -91.84 4.13 46.53 19.12 34.35 25.80 11.89 11.54 7.15 25.15 0.35 11.67 6.44 17 S C C 33.41 13.14 10.68 24.20 115.45 90.63 -92.96 136.59 70.09 23.01 6.89 52.98 10.15 5.03 3.52 3.55 0.04 10.79 13.94 18 A C T 84.18 3.12 14.87 18.94 96.18 -142.07 -73.44 -16.89 88.81 3.02 8.17 10.08 21.66 57.52 2.38 5.15 0.02 1.87 1.32 19 S C T 72.98 3.64 14.55 18.97 101.05 54.78 -91.99 -0.42 91.02 1.77 7.20 7.37 26.52 57.81 1.69 4.72 0.01 1.04 0.84 20 N C S 87.42 9.19 12.46 22.41 105.93 -117.14 -52.39 37.45 90.01 5.05 4.94 35.44 41.81 13.13 1.11 3.60 0.00 2.77 2.14 21 R C C 133.65 5.45 15.50 22.41 113.92 142.75 -102.97 124.79 83.83 14.35 1.81 65.24 13.54 4.41 0.63 1.32 0.00 9.65 5.22 22 I C C 81.99 10.47 13.59 24.76 113.28 -132.07 -92.82 121.65 64.04 34.71 1.25 53.71 7.76 1.59 0.65 0.71 0.00 19.97 15.60 23 I C C 69.70 9.91 12.66 23.80 119.11 -151.15 -108.94 133.09 65.41 32.89 1.70 47.67 13.55 2.78 0.98 1.00 0.03 23.08 10.93 24 G C C 34.11 5.82 13.79 20.84 125.03 -153.98 -100.30 170.83 74.80 21.13 4.07 45.56 21.11 8.63 1.51 2.65 0.03 13.43 7.07 25 A C T 79.29 4.30 11.55 17.41 96.90 -83.64 -67.55 -23.54 81.20 2.72 16.08 9.10 22.64 50.29 3.06 11.90 0.04 1.54 1.43 26 K C T 162.75 1.26 14.09 15.04 98.74 45.46 -85.33 -5.87 82.02 2.51 15.47 7.47 20.28 54.73 2.58 12.14 0.03 1.46 1.31 27 D C T 82.66 6.78 12.56 20.43 108.16 31.90 -103.48 70.17 67.49 16.72 15.78 21.69 23.60 24.52 3.33 10.82 0.31 9.14 6.58 28 H C C 87.86 10.09 13.21 23.91 113.07 -130.14 -96.05 129.81 64.61 22.48 12.92 39.17 12.30 13.24 3.49 9.29 0.10 13.55 8.86 29 A C C 48.67 10.60 15.13 26.38 99.81 -147.49 -76.79 -13.07 72.18 16.22 11.60 33.89 21.35 18.82 1.89 9.20 0.04 12.10 2.72 30 S C C 53.21 9.37 17.57 27.42 117.25 66.79 -101.35 130.31 56.33 35.44 8.23 34.47 11.82 11.64 1.17 6.77 0.02 31.96 2.14 31 I E E 54.46 12.81 15.94 29.59 119.18 121.89 -111.26 127.06 25.46 74.38 0.16 21.31 4.08 0.28 0.05 0.13 0.00 72.08 2.08 32 P E E 69.89 8.79 18.59 28.20 116.01 -137.37 -81.63 136.73 12.49 87.47 0.04 12.12 0.49 0.04 0.02 0.02 0.00 85.57 1.74 33 M E E 54.85 15.62 14.55 30.19 126.27 -170.28 -123.25 139.40 19.09 80.86 0.05 17.99 0.74 0.06 0.02 0.03 0.00 79.61 1.55 34 N E E 83.32 7.18 19.64 27.62 112.03 -129.59 -88.05 123.67 19.90 80.06 0.04 18.04 1.36 0.09 0.01 0.03 0.00 79.65 0.82 35 V E E 43.16 15.71 15.14 30.74 107.79 173.25 -106.13 -3.04 14.28 85.60 0.13 12.37 1.58 0.20 0.03 0.09 0.00 84.76 0.96 36 A E E 28.27 12.24 16.00 29.22 132.27 -26.92 -129.40 155.50 10.98 88.93 0.08 9.09 1.65 0.17 0.02 0.07 0.00 88.69 0.32 37 E E E 109.33 5.05 19.43 25.29 116.54 -123.23 -92.36 133.47 4.74 95.22 0.04 3.99 0.63 0.08 0.01 0.03 0.00 95.03 0.24 38 V E E 48.76 13.75 10.03 24.30 120.43 -151.50 -109.57 133.38 4.25 95.71 0.03 3.79 0.39 0.03 0.03 0.02 0.00 87.08 8.66 39 D C C 65.07 4.73 12.08 19.03 108.21 -123.16 -78.94 119.78 84.73 15.24 0.02 85.29 0.44 0.07 0.01 0.01 0.00 13.56 0.62 40 K C T 152.14 2.89 10.31 15.43 92.90 -154.98 -66.37 -26.64 99.72 0.07 0.20 0.22 3.04 96.52 0.01 0.15 0.00 0.05 0.01 41 V C T 131.45 0.48 11.97 10.95 97.76 46.60 -77.07 -38.93 99.74 0.06 0.20 0.11 2.46 97.24 0.00 0.15 0.00 0.03 0.01 42 T C T 89.01 1.62 12.17 13.86 100.03 23.32 -103.79 -15.03 99.81 0.04 0.15 0.41 2.88 96.56 0.01 0.11 0.00 0.02 0.01 43 G C C 33.81 8.46 10.06 20.24 95.07 -122.19 76.90 8.85 99.34 0.45 0.21 75.95 7.94 15.46 0.05 0.15 0.00 0.32 0.14 44 R C C 126.91 3.04 15.89 20.10 119.87 137.19 -86.76 145.72 73.31 26.61 0.08 65.88 7.20 0.31 0.03 0.07 0.00 20.87 5.65 45 F E E 83.90 13.39 9.84 23.47 112.18 -110.41 -75.50 131.31 3.34 96.64 0.02 2.94 0.18 0.01 0.02 0.00 0.00 71.57 25.27 46 N E E 93.00 4.46 15.43 20.98 101.39 -169.46 -94.87 2.80 34.13 65.77 0.10 27.48 4.85 0.67 0.01 0.10 0.00 66.43 0.46 47 G E E 49.91 3.87 14.32 19.39 97.96 -102.48 83.01 2.41 44.53 55.28 0.19 11.64 29.40 2.97 0.01 0.20 0.00 55.46 0.32 48 Q E E 104.94 4.39 15.84 21.58 117.94 102.64 -101.03 134.15 36.70 63.04 0.26 25.20 8.90 1.56 0.02 0.25 0.00 63.73 0.33 49 F E E 90.42 14.34 12.21 26.32 126.84 -167.04 -123.55 142.50 15.71 84.25 0.03 13.37 1.67 0.09 0.00 0.02 0.00 84.57 0.28 50 K E E 91.49 8.46 19.64 28.85 127.61 -169.82 -125.51 142.34 2.17 97.83 0.00 2.01 0.07 0.00 0.00 0.00 0.00 97.85 0.06 51 T E E 53.69 14.51 18.17 32.49 121.06 -138.59 -102.89 136.77 1.29 98.71 0.00 1.22 0.02 0.00 0.00 0.00 0.00 98.72 0.03 52 Y E E 32.71 17.27 20.38 37.76 131.58 -174.87 -133.53 147.40 2.04 97.96 0.00 1.85 0.07 0.00 0.00 0.00 0.00 97.99 0.08 53 A E E 22.63 16.19 24.44 40.48 118.99 -138.39 -103.09 134.92 4.76 95.23 0.01 4.33 0.23 0.01 0.00 0.00 0.00 95.30 0.14 54 I E E 9.72 22.50 21.09 43.38 124.06 -164.28 -115.86 138.38 13.95 86.02 0.03 13.66 0.36 0.02 0.01 0.01 0.00 83.73 2.19 55 C C C 19.29 15.73 21.14 37.04 121.02 -126.07 -85.47 157.80 71.46 28.23 0.31 71.07 1.10 0.11 0.22 0.08 0.00 26.17 1.26 56 G H H 28.10 9.82 20.94 31.52 93.21 -109.18 -58.63 -40.12 7.53 0.06 92.42 0.79 1.35 5.44 88.51 3.81 0.04 0.03 0.02 57 A H H 47.04 5.95 22.03 28.61 91.51 52.89 -64.39 -37.36 2.95 0.03 97.02 0.29 0.32 2.29 92.75 4.31 0.01 0.02 0.01 58 I H H 13.10 19.67 14.99 34.79 92.14 51.14 -66.84 -40.43 1.64 0.03 98.34 0.27 0.19 1.10 92.43 5.99 0.00 0.02 0.00 59 R H H 83.92 14.71 15.12 29.44 91.58 54.59 -63.10 -39.97 3.50 0.05 96.45 0.64 0.38 2.36 91.16 5.39 0.01 0.03 0.01 60 R H H 173.46 1.55 18.00 19.27 91.01 53.99 -67.58 -28.39 19.18 0.10 80.71 1.13 1.32 16.96 75.86 4.54 0.08 0.05 0.06 61 M C T 105.49 5.11 15.13 21.27 94.83 53.69 -86.70 -4.41 65.31 0.19 34.50 1.56 4.07 58.60 32.94 2.57 0.04 0.06 0.16 62 G C T 47.42 4.39 17.22 22.59 98.14 -107.24 82.45 7.61 98.35 0.35 1.30 8.48 11.75 78.26 0.84 0.35 0.00 0.16 0.15 63 E C C 77.00 10.89 16.98 28.32 101.67 112.40 -96.09 26.48 96.68 0.77 2.56 87.62 5.82 3.34 1.71 0.66 0.00 0.31 0.55 64 S C C 24.77 18.69 15.86 33.68 96.21 119.51 -67.54 -39.57 65.14 0.67 34.19 48.93 8.66 6.58 33.14 2.06 0.00 0.22 0.40 65 D H H 68.84 12.25 21.36 32.94 92.53 54.31 -65.93 -38.42 15.15 0.12 84.73 4.36 3.27 7.87 81.79 2.57 0.03 0.04 0.07 66 D H H 73.50 4.85 24.51 29.29 92.37 51.91 -66.48 -39.45 5.86 0.04 94.10 1.77 0.80 3.13 92.00 2.26 0.01 0.02 0.02 67 S H H 13.21 16.15 20.33 36.84 92.07 51.37 -64.40 -43.15 2.89 0.02 97.09 1.07 0.38 1.40 95.62 1.50 0.00 0.01 0.01 68 I H H 10.92 22.92 20.84 42.94 91.71 49.54 -64.10 -42.94 0.79 0.01 99.21 0.18 0.08 0.45 99.01 0.27 0.00 0.00 0.00 69 L H H 55.84 11.49 22.95 34.53 91.64 50.41 -63.56 -42.27 0.35 0.00 99.65 0.07 0.03 0.20 99.60 0.11 0.00 0.00 0.00 70 R H H 110.85 4.68 25.11 29.68 91.61 49.94 -63.90 -42.40 0.31 0.00 99.69 0.05 0.02 0.19 99.65 0.08 0.00 0.00 0.00 71 L H H 19.45 16.23 19.97 36.69 91.81 49.38 -64.20 -43.32 0.16 0.00 99.84 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 72 A H H 7.62 18.14 16.02 35.00 91.66 50.09 -63.30 -43.11 0.21 0.00 99.79 0.03 0.01 0.14 99.73 0.09 0.00 0.00 0.00 73 K H H 117.72 4.18 18.51 23.58 91.98 48.92 -64.15 -41.56 0.41 0.00 99.59 0.03 0.01 0.33 99.40 0.23 0.00 0.00 0.00 74 A H H 71.96 3.97 17.13 21.97 91.18 52.21 -65.63 -33.06 2.98 0.00 97.02 0.05 0.06 3.05 96.53 0.31 0.00 0.00 0.00 75 H C T 87.44 9.16 13.76 24.14 93.17 47.91 -90.47 0.48 78.03 0.01 21.95 0.19 0.59 76.74 22.10 0.37 0.00 0.00 0.01 76 G C T 57.07 1.98 17.69 19.75 94.14 -114.82 74.94 16.51 99.82 0.01 0.18 0.47 1.13 98.30 0.07 0.02 0.00 0.00 0.00 77 I C S 51.66 12.58 14.77 28.23 97.06 121.54 -87.06 -23.81 97.93 1.91 0.15 19.64 76.94 1.72 0.07 0.06 0.00 1.06 0.52 78 V C S 25.27 17.88 11.41 29.14 131.46 33.06 -130.99 147.64 81.65 17.95 0.40 16.68 64.52 1.90 0.17 0.19 0.00 9.02 7.52 79 S C C 51.33 5.62 15.72 22.68 116.61 -107.08 -73.79 151.99 89.56 9.49 0.96 82.96 4.92 1.63 0.20 0.78 0.00 7.71 1.81 80 Q C T 132.71 4.63 12.22 18.80 94.63 -114.15 -66.68 -22.35 93.63 4.30 2.08 24.57 32.02 37.15 0.24 2.12 0.00 3.01 0.89 81 N C C 124.22 1.51 13.84 15.53 100.58 62.75 -89.50 26.96 96.73 1.94 1.33 55.37 7.28 33.99 0.19 1.25 0.00 1.48 0.45 82 F C C 81.09 13.53 9.88 23.06 107.64 145.01 -82.16 96.42 99.69 0.29 0.01 99.62 0.15 0.03 0.00 0.00 0.00 0.16 0.03