# 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 115.92 5.69 11.39 18.67 114.42 -152.87 -94.06 129.56 99.78 0.18 0.04 99.68 0.11 0.08 0.02 0.00 0.00 0.08 0.03 1 A C C 78.75 4.26 9.31 15.23 113.04 -150.98 -90.89 131.47 90.40 3.40 6.20 78.50 1.87 11.06 2.57 2.50 0.00 2.28 1.23 2 G C C 53.33 3.11 10.07 14.68 112.89 32.42 -123.07 160.55 86.59 4.77 8.65 48.43 17.95 20.80 2.60 5.65 0.00 3.06 1.50 3 L C C 118.75 3.81 9.31 14.77 111.36 -114.14 -89.93 119.57 79.05 9.97 10.99 55.78 14.06 9.22 3.73 7.30 0.01 7.36 2.53 4 L C C 112.29 4.58 9.74 16.12 112.66 -153.49 -94.56 123.90 75.46 15.12 9.42 53.70 13.26 8.15 3.69 5.81 0.02 11.69 3.69 5 K C C 126.18 5.54 11.12 18.41 119.60 -157.49 -106.31 134.96 75.42 18.19 6.39 55.54 13.07 6.22 2.66 3.86 0.01 14.49 4.14 6 K C C 137.35 4.24 13.14 19.28 117.64 -143.39 -100.25 135.06 77.94 19.46 2.61 63.22 11.09 2.72 1.31 1.45 0.01 15.34 4.86 7 T C C 65.70 10.62 9.82 21.08 120.12 -150.68 -102.63 143.63 79.06 19.23 1.71 68.25 7.62 2.11 0.89 0.90 0.00 13.73 6.50 8 T C C 89.88 5.00 14.03 20.34 110.68 -160.29 -102.80 100.49 80.98 15.59 3.43 51.17 21.65 8.44 1.41 2.02 0.02 8.94 6.34 9 G C S 46.19 5.92 15.13 21.84 108.73 -49.79 81.47 -106.84 86.08 4.11 9.81 15.92 40.27 31.05 2.43 6.27 0.03 2.44 1.59 10 L C T 82.10 11.57 12.93 24.43 106.05 -1.17 -92.73 47.27 78.18 8.54 13.28 21.19 26.96 31.08 3.49 8.82 0.08 4.98 3.41 11 V C T 85.99 8.17 14.45 23.57 111.14 132.20 -79.10 125.01 77.10 10.28 12.63 13.90 16.36 46.91 3.63 8.65 0.13 6.94 3.48 12 G C T 47.29 5.72 17.33 23.86 98.48 14.37 84.61 -1.97 79.41 12.04 8.55 20.49 18.39 41.74 2.11 5.93 0.04 9.03 2.26 13 L C C 54.01 14.28 13.75 28.34 117.34 117.13 -89.14 133.97 65.48 28.73 5.79 49.51 9.97 5.05 2.49 3.54 0.03 22.85 6.55 14 A C C 52.19 9.52 19.09 28.99 111.86 -120.90 -77.91 134.67 56.05 39.15 4.80 42.37 8.17 4.64 2.73 2.55 0.04 32.73 6.77 15 V C C 58.77 14.68 16.29 30.63 115.94 -142.66 -100.45 129.33 61.20 35.56 3.24 43.66 12.00 4.44 1.78 1.90 0.04 26.98 9.20 16 C C C 27.39 15.55 13.68 29.59 124.13 -146.47 -111.49 145.32 77.91 21.14 0.95 69.71 6.50 1.26 0.56 0.47 0.00 15.47 6.04 17 D C S 116.84 2.20 18.71 21.40 95.34 -140.06 -74.22 -22.94 99.38 0.44 0.18 6.08 91.64 1.83 0.06 0.05 0.00 0.23 0.11 18 T C C 62.13 6.74 18.76 26.43 110.18 28.15 -127.00 84.23 99.11 0.46 0.43 53.47 44.63 1.08 0.28 0.10 0.00 0.15 0.28 19 P H H 14.31 21.30 14.51 36.08 93.09 172.48 -62.16 -36.49 6.71 0.04 93.25 2.41 1.11 3.33 90.85 2.26 0.01 0.02 0.02 20 H H H 55.72 16.52 18.63 34.44 91.43 55.67 -62.77 -40.93 3.04 0.01 96.95 0.39 0.28 2.23 94.72 2.36 0.01 0.01 0.00 21 E H H 104.89 3.38 23.61 26.51 92.01 49.32 -65.97 -40.22 1.68 0.02 98.30 0.36 0.16 1.06 95.95 2.46 0.00 0.01 0.00 22 R H H 79.84 10.51 21.05 31.84 91.88 49.47 -65.13 -41.51 0.98 0.01 99.01 0.28 0.10 0.49 98.61 0.51 0.00 0.00 0.00 23 L H H 5.75 24.26 17.39 41.61 91.80 49.85 -64.73 -42.07 0.42 0.00 99.58 0.09 0.03 0.19 99.58 0.10 0.00 0.00 0.00 24 T H H 48.00 12.32 21.27 33.49 91.35 51.81 -62.87 -42.01 0.15 0.00 99.85 0.02 0.01 0.08 99.83 0.06 0.00 0.00 0.00 25 I H H 84.17 3.56 24.43 27.38 91.66 49.59 -64.19 -42.53 0.10 0.00 99.90 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 26 L H H 26.43 15.13 21.18 36.52 91.66 49.04 -64.24 -42.53 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 27 Y H H 18.28 21.77 18.78 40.11 91.83 50.53 -64.22 -41.47 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 28 T H H 59.79 7.02 22.74 30.15 91.52 51.11 -64.04 -41.28 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.02 0.00 0.00 0.00 29 K H H 99.59 4.53 23.92 28.36 91.78 49.81 -64.88 -41.35 0.16 0.00 99.84 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 30 T H H 10.18 19.72 19.21 38.91 91.85 49.31 -64.66 -43.00 0.28 0.00 99.72 0.02 0.01 0.19 99.71 0.08 0.00 0.00 0.00 31 L H H 28.06 16.27 19.27 35.64 91.42 50.58 -63.48 -40.91 0.34 0.00 99.65 0.02 0.01 0.23 99.52 0.21 0.00 0.00 0.00 32 D H H 82.49 2.55 23.58 24.99 91.58 51.18 -64.13 -40.89 0.97 0.00 99.03 0.05 0.03 0.82 98.18 0.92 0.00 0.00 0.00 33 I H H 40.20 10.13 19.06 30.56 91.89 49.59 -65.00 -41.39 1.58 0.00 98.42 0.07 0.06 1.38 95.58 2.91 0.00 0.00 0.00 34 L H H 13.07 21.97 13.37 35.19 91.52 52.81 -65.35 -35.46 2.27 0.00 97.73 0.11 0.11 1.93 89.99 7.85 0.00 0.00 0.00 35 K H H 127.15 5.60 18.03 25.01 90.71 58.04 -66.89 -25.16 33.71 0.02 66.27 0.37 0.68 34.63 56.11 8.17 0.02 0.01 0.02 36 H C T 144.61 1.62 18.82 19.62 94.78 51.74 -88.96 -9.15 62.41 0.03 37.56 0.75 1.73 61.82 28.67 6.99 0.00 0.01 0.04 37 F C S 38.14 18.39 7.47 24.69 117.63 98.79 -78.44 142.23 99.73 0.11 0.17 10.70 88.80 0.29 0.10 0.02 0.00 0.02 0.08 38 P C C 67.38 3.65 16.58 21.08 112.98 -103.22 -63.36 143.41 99.64 0.15 0.20 98.85 0.58 0.29 0.05 0.07 0.00 0.04 0.11 39 K C T 139.47 6.30 11.24 19.48 91.69 -122.33 -61.52 -28.35 99.23 0.09 0.68 2.62 12.00 84.65 0.10 0.53 0.00 0.05 0.06 40 H C T 157.26 1.11 15.84 16.14 94.86 57.64 -89.55 1.35 99.11 0.09 0.80 2.89 10.33 85.90 0.11 0.67 0.00 0.05 0.06 41 A C S 26.60 10.97 9.82 22.57 119.33 111.02 -79.49 150.86 92.52 1.11 6.37 12.44 79.04 1.17 5.73 0.32 0.00 0.12 1.18 42 A H H 64.20 3.74 18.18 22.57 91.58 -118.73 -60.60 -35.93 7.27 0.01 92.73 0.33 0.83 6.40 91.22 1.20 0.02 0.00 0.01 43 Y H H 58.74 13.97 15.70 30.05 92.17 53.57 -65.20 -39.32 3.54 0.01 96.45 0.26 0.25 2.93 95.20 1.34 0.00 0.00 0.00 44 R H H 63.50 14.65 15.64 30.30 91.72 53.25 -63.31 -41.29 0.50 0.00 99.50 0.09 0.04 0.29 99.02 0.56 0.00 0.00 0.00 45 K H H 124.33 2.47 22.19 24.05 91.81 50.04 -64.95 -41.09 0.31 0.00 99.69 0.05 0.02 0.18 99.59 0.15 0.00 0.00 0.00 46 Y H H 97.07 6.41 21.64 28.50 92.08 48.96 -65.67 -41.51 0.35 0.00 99.65 0.05 0.02 0.22 99.61 0.09 0.00 0.00 0.00 47 T H H 10.33 19.99 16.68 36.77 92.02 49.35 -65.23 -41.73 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 48 E H H 67.87 11.24 20.28 31.77 91.66 52.24 -62.83 -41.66 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 49 Q H H 101.89 2.32 24.65 25.46 91.81 50.01 -64.50 -41.53 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 50 I H H 38.47 11.99 21.15 33.80 91.89 48.78 -64.68 -42.57 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 51 T H H 10.06 20.86 17.39 38.26 91.78 49.67 -64.09 -42.62 0.26 0.00 99.74 0.03 0.01 0.15 99.79 0.02 0.00 0.00 0.00 52 N H H 79.31 5.47 23.27 28.97 91.53 50.80 -64.06 -40.95 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 53 E H H 94.00 3.77 24.02 27.24 91.63 50.00 -64.55 -41.74 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 K H H 32.51 17.65 19.50 36.76 92.06 49.83 -64.69 -41.82 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 55 L H H 32.01 16.08 19.03 35.12 91.52 51.42 -62.81 -41.44 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 56 D H H 85.62 2.11 24.61 25.05 91.44 50.59 -63.88 -40.87 0.13 0.00 99.87 0.00 0.00 0.11 99.85 0.03 0.00 0.00 0.00 57 M H H 50.72 8.85 19.76 29.88 91.80 50.50 -64.54 -41.95 0.16 0.00 99.84 0.01 0.01 0.13 99.76 0.10 0.00 0.00 0.00 58 V H H 10.23 21.72 13.35 35.00 91.71 50.65 -65.01 -39.89 0.47 0.00 99.53 0.02 0.02 0.39 99.14 0.43 0.00 0.00 0.00 59 K H H 127.77 5.21 18.94 25.36 91.52 52.05 -67.66 -30.51 5.65 0.00 94.35 0.09 0.14 5.64 93.61 0.52 0.00 0.00 0.00 60 A H H 78.54 1.83 18.64 19.53 94.74 47.38 -81.63 -22.69 21.78 0.02 78.19 0.66 1.37 19.41 77.87 0.65 0.01 0.01 0.02 61 E C C 63.02 11.21 11.96 24.20 116.12 33.91 -128.98 102.03 99.23 0.18 0.60 73.36 24.97 0.81 0.55 0.08 0.00 0.04 0.19 62 P C S 93.46 5.91 14.99 22.86 94.88 -171.91 -73.86 -16.10 99.70 0.17 0.13 44.90 53.68 1.16 0.05 0.05 0.00 0.06 0.10 63 D C C 75.87 4.50 18.96 24.28 111.06 89.16 -93.18 116.52 97.88 1.51 0.61 63.63 33.26 0.63 0.46 0.12 0.00 0.26 1.64 64 V H H 38.41 18.72 11.80 30.13 93.14 -154.91 -62.87 -36.18 5.64 0.04 94.32 1.39 1.18 3.20 91.89 2.29 0.01 0.02 0.02 65 K H H 136.06 2.80 19.06 22.51 91.49 55.93 -62.77 -40.90 3.37 0.03 96.60 0.57 0.39 2.36 94.49 2.15 0.01 0.01 0.01 66 K H H 106.61 2.96 20.56 23.07 92.14 48.67 -65.68 -39.97 1.78 0.04 98.18 0.56 0.24 0.98 95.71 2.46 0.00 0.03 0.01 67 L H H 8.79 19.31 13.40 33.42 91.89 50.99 -64.21 -43.11 1.17 0.04 98.79 0.40 0.18 0.62 97.49 1.28 0.00 0.03 0.01 68 E H H 42.85 14.08 15.32 29.99 91.79 51.94 -63.23 -40.48 1.88 0.05 98.07 0.47 0.24 1.17 96.40 1.66 0.01 0.03 0.01 69 A H H 79.86 1.41 20.59 20.37 92.07 51.47 -64.96 -38.76 5.38 0.04 94.58 0.49 0.37 4.64 92.19 2.25 0.02 0.02 0.01 70 L H H 85.66 7.14 17.27 25.28 92.50 50.47 -71.03 -31.17 10.59 0.05 89.36 0.40 0.78 9.90 87.40 1.43 0.04 0.02 0.03 71 L C H 25.83 18.36 10.61 28.39 98.27 46.00 -95.72 4.39 53.00 0.60 46.40 5.68 16.13 30.02 45.44 1.96 0.10 0.15 0.52 72 Q C T 145.48 1.57 18.22 19.59 94.65 -118.76 56.87 42.31 86.31 0.54 13.15 13.57 6.70 66.20 3.10 9.74 0.00 0.24 0.45 73 G C T 48.46 5.81 14.77 21.87 94.78 -39.87 73.91 9.49 84.54 0.24 15.23 2.58 8.76 72.67 1.73 13.93 0.00 0.12 0.22 74 G C T 34.11 9.46 16.07 26.03 98.63 -76.19 84.27 3.26 84.33 0.92 14.74 13.49 24.44 46.07 1.95 13.00 0.00 0.41 0.63 75 E C C 80.83 7.44 20.69 28.68 111.38 131.46 -83.85 122.48 87.09 3.99 8.92 77.47 7.26 1.70 7.43 1.56 0.00 0.98 3.60 76 V H H 24.19 21.19 14.51 35.04 94.17 -138.25 -62.77 -40.67 1.60 0.00 98.40 0.38 0.21 0.81 98.08 0.51 0.00 0.00 0.00 77 E H H 101.02 6.78 21.70 29.05 91.59 53.75 -63.10 -40.47 0.44 0.00 99.56 0.06 0.02 0.28 99.12 0.51 0.00 0.00 0.00 78 E H H 87.65 4.69 23.29 28.03 91.61 48.82 -65.67 -40.68 0.17 0.00 99.83 0.02 0.01 0.11 99.38 0.49 0.00 0.00 0.00 79 V H H 7.94 20.75 17.57 38.61 91.97 50.17 -64.01 -43.36 0.08 0.00 99.92 0.01 0.00 0.04 99.89 0.06 0.00 0.00 0.00 80 I H H 29.87 17.47 20.44 37.42 91.68 50.20 -63.41 -42.84 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 81 L H H 80.85 3.88 24.58 28.18 91.41 49.77 -63.63 -42.42 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.01 0.00 0.00 0.00 82 Q H H 60.85 8.87 22.75 32.10 91.77 49.29 -64.65 -41.71 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 83 A H H 6.14 21.01 17.54 38.94 91.54 50.91 -63.81 -42.06 0.19 0.00 99.81 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 84 E H H 86.69 8.01 23.07 31.44 91.59 51.20 -63.11 -41.50 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 85 K H H 109.64 3.36 24.32 27.16 91.82 49.63 -64.62 -41.32 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 86 E H H 37.99 15.40 19.51 35.06 92.13 50.58 -64.69 -41.47 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 87 L H H 40.99 14.43 19.55 33.99 91.81 50.98 -64.15 -41.04 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 88 S H H 54.58 3.20 23.01 25.65 91.50 50.81 -63.92 -41.75 0.61 0.00 99.39 0.04 0.02 0.47 99.39 0.08 0.00 0.00 0.00 89 L H H 53.86 8.24 20.19 29.38 91.86 49.86 -64.90 -41.09 0.70 0.00 99.30 0.04 0.02 0.55 99.30 0.09 0.00 0.00 0.00 90 A H H 15.60 15.82 16.11 32.85 91.81 51.88 -63.27 -41.69 0.26 0.00 99.74 0.03 0.01 0.15 99.72 0.09 0.00 0.00 0.00 91 R H H 117.94 4.63 20.55 25.70 91.74 51.41 -63.61 -40.34 0.41 0.00 99.59 0.03 0.02 0.29 99.30 0.36 0.00 0.00 0.00 92 K H H 109.13 3.19 19.50 22.61 91.71 50.44 -65.01 -40.05 0.84 0.00 99.16 0.05 0.03 0.67 98.28 0.97 0.00 0.00 0.00 93 M H H 47.73 14.10 13.71 28.37 92.26 51.75 -67.17 -33.94 2.22 0.00 97.78 0.11 0.10 1.92 94.96 2.91 0.00 0.00 0.00 94 L H H 80.15 10.16 14.23 25.11 91.65 57.10 -68.31 -25.90 26.47 0.02 73.51 0.36 0.58 26.53 69.00 3.49 0.02 0.01 0.02 95 K C T 160.08 0.97 17.51 16.83 95.32 50.28 -87.95 -8.12 58.50 0.03 41.47 0.86 1.55 56.20 38.71 2.62 0.01 0.01 0.03 96 W C C 98.28 10.35 8.99 20.47 116.01 97.43 -80.22 139.58 94.15 0.65 5.20 51.70 38.16 3.99 4.32 0.84 0.00 0.14 0.85 97 K C C 131.61 3.48 15.43 20.08 113.04 -146.36 -98.05 118.01 98.48 0.71 0.81 95.25 2.36 0.92 0.24 0.42 0.00 0.25 0.56 98 P C T 61.49 13.00 10.72 23.91 95.61 -133.71 -66.62 -18.47 97.40 0.59 2.01 17.02 13.52 66.47 0.18 2.20 0.00 0.31 0.28 99 W C T 147.89 7.20 13.01 21.01 99.17 49.86 -91.83 10.29 96.46 1.26 2.28 15.28 14.50 66.28 0.23 2.47 0.00 0.72 0.52 100 E C S 104.71 4.64 12.54 18.88 117.54 118.56 -88.74 141.66 97.82 1.65 0.53 46.04 50.98 1.02 0.13 0.34 0.00 0.66 0.83 101 P C C 96.49 3.83 12.11 17.58 113.85 -100.86 -66.19 146.24 96.95 1.94 1.11 88.42 5.81 2.68 0.25 0.86 0.00 1.08 0.89 102 L C C 94.85 8.47 8.41 17.93 109.96 -110.71 -77.12 133.05 92.51 5.79 1.69 81.40 7.79 2.82 0.48 1.29 0.00 2.74 3.48 103 V C C 109.42 3.46 10.09 15.05 109.75 -157.37 -94.56 79.93 92.19 6.28 1.53 74.38 14.59 2.89 0.48 1.08 0.00 3.00 3.56 104 E C C 137.60 2.33 10.46 14.26 119.15 73.09 -103.47 143.59 94.93 4.15 0.92 65.18 27.82 2.23 0.27 0.60 0.00 1.95 1.94 105 E C C 153.13 1.55 12.11 14.71 113.97 -100.00 -82.61 134.89 98.95 0.97 0.08 88.24 10.61 0.21 0.03 0.04 0.00 0.43 0.44 106 P C C 64.18 11.11 7.21 18.60 116.65 -108.21 -65.49 149.81 99.84 0.14 0.02 98.58 1.22 0.08 0.01 0.01 0.00 0.05 0.06 107 P C C 79.88 3.48 10.92 16.12 115.19 -103.03 -64.36 151.59 99.48 0.25 0.28 97.96 1.05 0.54 0.06 0.13 0.00 0.08 0.18 108 A C T 95.84 1.07 10.77 12.32 108.41 -98.09 -65.30 142.37 97.89 0.30 1.82 9.70 20.82 67.15 0.18 1.81 0.00 0.14 0.20 109 N C T 123.31 2.07 10.28 13.48 97.17 14.34 40.59 37.65 97.27 0.57 2.16 18.97 13.55 64.53 0.30 2.05 0.00 0.28 0.31 110 Q C C 100.88 5.74 9.00 16.54 99.83 152.56 -76.27 -16.05 92.54 1.71 5.76 43.73 19.77 28.04 0.72 5.99 0.00 0.74 1.02 111 W C C 140.90 7.16 8.70 16.93 110.95 50.05 -97.13 98.68 93.28 2.37 4.35 48.14 17.23 27.37 0.63 4.24 0.00 1.09 1.30 112 K C C 143.36 2.08 11.18 14.75 117.85 153.44 -98.26 139.40 93.75 3.61 2.65 67.65 20.82 4.79 0.64 2.13 0.00 1.44 2.53 113 W C C 168.53 4.57 7.39 13.86 114.83 -107.80 -79.00 140.82 97.56 1.61 0.83 55.01 34.16 8.39 0.18 0.68 0.00 0.74 0.85 114 P C C 105.22 2.26 8.93 12.58 108.82 2.41 -72.87 128.34 99.19 0.43 0.37 88.09 3.96 7.21 0.08 0.22 0.00 0.23 0.20 115 I C C 119.82 3.73 9.84 15.24 108.16 -136.78 -86.08 116.14 99.91 0.08 0.01 99.79 0.12 0.05 0.00 0.00 0.00 0.03 0.01