# 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 F C C 74.08 13.04 14.21 27.59 118.92 -164.29 -104.59 133.04 98.58 1.33 0.09 98.64 0.19 0.10 0.04 0.01 0.00 0.88 0.13 1 E C C 112.02 5.14 14.73 21.19 115.23 -150.75 -99.19 125.87 64.89 31.63 3.48 59.75 2.04 1.72 2.30 1.26 0.00 24.29 8.63 2 I C C 77.95 9.70 9.53 20.16 111.77 -158.03 -92.03 125.94 58.35 34.14 7.50 43.29 9.17 5.84 3.71 4.07 0.08 28.67 5.20 3 S C C 65.33 5.59 10.58 17.57 108.68 -113.65 -87.86 126.47 53.09 37.66 9.25 30.34 12.70 12.52 3.38 6.07 0.19 27.84 6.97 4 D C T 113.56 2.24 11.36 14.65 99.80 15.28 -84.79 18.34 90.22 3.07 6.72 9.37 18.05 62.93 1.34 5.19 0.01 2.25 0.86 5 G C T 55.01 2.99 11.40 15.84 101.46 -77.21 81.66 5.35 92.65 3.21 4.14 13.19 23.34 56.42 0.66 3.33 0.00 2.44 0.62 6 V C C 83.19 4.93 10.43 17.30 116.54 129.72 -93.96 134.43 55.92 42.00 2.08 41.52 11.32 2.83 1.04 1.31 0.01 34.00 7.96 7 E C C 129.12 3.91 12.60 18.27 113.66 -133.30 -88.83 132.69 52.00 44.11 3.90 41.87 5.99 2.70 2.26 2.06 0.02 37.79 7.31 8 F C C 81.46 12.81 8.97 21.76 115.45 -147.56 -95.05 133.18 75.14 16.15 8.71 59.20 8.75 7.09 2.74 5.80 0.01 14.15 2.27 9 D C C 102.93 3.23 15.56 19.74 109.42 -138.00 -89.19 115.01 83.51 8.55 7.94 58.18 13.62 11.87 2.40 5.46 0.00 6.64 1.82 10 L C C 88.16 10.13 10.48 21.15 109.14 -164.94 -91.32 106.52 85.85 4.87 9.28 50.63 24.98 10.63 4.07 4.85 0.01 2.41 2.43 11 N C C 76.36 5.93 12.46 20.06 110.22 145.36 -92.33 113.74 94.16 1.16 4.68 77.95 13.36 2.61 4.09 0.85 0.00 0.48 0.66 12 P H H 91.21 4.58 12.32 18.63 94.05 -150.64 -63.05 -28.95 37.84 0.48 61.68 13.63 6.24 18.26 57.08 4.31 0.03 0.25 0.21 13 L H H 105.96 2.85 14.53 18.02 93.18 58.44 -66.35 -36.18 21.30 1.05 77.65 7.84 3.57 11.31 70.85 5.28 0.11 0.72 0.32 14 V H H 53.65 9.41 13.33 24.01 92.78 51.48 -67.12 -40.39 10.53 1.89 87.59 5.48 1.79 4.29 79.59 6.74 0.08 1.71 0.33 15 L H H 67.62 9.80 15.00 25.63 92.25 52.16 -65.23 -40.57 9.02 2.28 88.70 3.97 1.44 4.19 81.08 6.65 0.12 2.22 0.33 16 A H H 58.44 4.48 18.10 22.88 92.23 51.70 -65.11 -39.96 10.12 1.77 88.11 3.47 1.46 5.56 80.83 6.50 0.14 1.77 0.27 17 I H H 82.09 6.44 18.14 25.15 92.82 51.11 -66.59 -40.53 8.64 1.49 89.86 2.69 1.32 4.89 80.87 8.47 0.13 1.40 0.22 18 S H H 35.72 12.34 15.94 28.70 93.03 52.64 -66.01 -40.10 13.17 1.17 85.66 2.62 1.54 8.87 76.23 9.29 0.19 1.03 0.22 19 F H H 100.00 8.17 18.75 27.26 93.02 50.36 -68.38 -36.82 16.16 1.13 82.71 2.99 1.87 11.32 73.09 9.24 0.28 0.91 0.29 20 L H H 90.52 5.55 19.42 25.14 93.86 54.25 -66.51 -38.71 13.65 1.17 85.17 3.28 2.28 8.93 72.80 11.15 0.36 0.86 0.34 21 G H H 27.86 10.80 17.05 28.23 94.95 50.69 -66.32 -37.04 19.15 0.61 80.24 2.92 2.09 13.47 64.67 16.02 0.20 0.43 0.20 22 W H H 106.05 11.72 16.98 28.63 95.76 51.46 -75.32 -29.83 29.30 0.78 69.92 3.70 3.15 21.13 55.82 15.05 0.31 0.50 0.34 23 S H H 57.77 7.22 18.68 26.11 97.46 55.79 -77.22 -27.87 35.74 1.75 62.51 6.68 6.27 23.50 50.23 10.86 0.62 1.00 0.84 24 L H H 76.22 8.63 17.09 26.33 102.84 65.99 -75.73 -32.23 46.72 3.17 50.11 20.81 14.34 12.98 27.84 20.92 0.19 1.62 1.30 25 P H G 59.79 11.28 15.95 27.44 98.26 53.42 -70.75 -20.18 42.38 2.92 54.70 21.31 6.58 14.73 22.28 32.32 0.05 1.82 0.93 26 G H G 40.42 8.58 15.80 24.94 100.07 64.91 -76.91 -8.82 45.52 3.29 51.19 16.58 8.63 21.23 16.77 33.46 0.13 1.83 1.38 27 L C T 106.49 5.52 17.13 23.38 100.13 65.22 -89.62 7.29 59.28 4.80 35.92 22.49 15.12 23.97 9.94 23.60 0.14 2.50 2.25 28 L C S 62.31 12.57 11.36 24.53 116.65 111.59 -90.01 133.71 93.07 4.64 2.29 37.19 53.15 3.18 0.99 1.09 0.00 2.07 2.33 29 P C C 77.59 5.70 14.78 21.80 109.45 -107.85 -66.63 144.40 89.42 2.91 7.68 62.18 11.24 14.84 1.25 7.60 0.00 1.77 1.12 30 S C T 75.09 6.59 12.51 20.39 101.72 -129.08 -76.93 -10.57 85.62 3.86 10.52 27.64 20.89 36.95 1.07 10.00 0.00 2.08 1.36 31 N C C 117.85 2.96 16.06 19.83 98.92 58.89 -86.86 9.76 87.01 5.39 7.60 33.32 22.15 31.51 0.67 7.74 0.00 3.24 1.36 32 I C C 54.17 12.17 10.56 23.77 115.60 116.34 -96.97 125.68 87.48 11.41 1.11 50.90 36.29 1.30 0.47 0.62 0.00 5.55 4.87 33 P C C 70.02 6.28 15.24 22.94 112.04 -120.92 -70.22 142.73 81.71 16.54 1.75 75.74 3.99 1.74 0.73 0.98 0.00 9.97 6.85 34 L C S 86.56 9.77 11.88 22.36 105.92 -145.09 -90.17 28.15 78.73 16.95 4.32 29.48 36.41 14.26 1.09 3.15 0.06 9.36 6.18 35 Y C S 138.39 5.69 12.37 19.32 108.72 32.08 -102.70 84.03 67.35 26.94 5.71 9.78 31.19 28.37 1.23 4.00 0.30 13.25 11.88 36 G C T 63.71 1.07 14.69 15.33 97.16 -23.63 68.88 13.36 91.43 2.96 5.61 7.84 25.84 57.84 0.84 4.65 0.01 1.64 1.34 37 G C T 45.92 6.78 12.22 20.11 100.16 -63.51 79.95 3.08 91.07 3.11 5.81 11.06 37.65 43.19 1.26 3.84 0.02 1.68 1.30 38 K C S 130.46 3.86 16.54 21.31 106.74 111.66 -93.07 21.86 71.25 22.76 5.99 31.22 31.23 10.22 3.23 2.59 0.17 10.75 10.59 39 G C C 18.75 11.22 17.23 29.10 126.71 -124.81 -47.22 173.78 70.62 18.35 11.03 49.63 17.88 2.92 9.70 1.58 0.07 6.06 12.16 40 L H H 42.67 17.17 17.81 34.44 93.12 -86.08 -64.34 -36.17 5.56 0.09 94.35 2.11 1.16 2.52 93.36 0.77 0.01 0.04 0.04 41 T H H 42.01 14.86 19.62 33.89 92.09 54.27 -63.88 -41.66 2.22 0.03 97.75 0.54 0.25 1.35 97.08 0.76 0.01 0.02 0.01 42 T H H 62.23 5.23 22.81 28.29 92.05 50.16 -64.92 -40.68 0.70 0.01 99.29 0.16 0.06 0.40 98.69 0.67 0.00 0.00 0.00 43 A H H 31.52 9.34 20.33 30.72 91.92 50.68 -64.29 -41.96 0.27 0.00 99.73 0.05 0.02 0.14 99.60 0.18 0.00 0.00 0.00 44 L H H 28.24 17.37 18.46 35.61 92.11 49.69 -64.38 -42.35 0.31 0.00 99.69 0.04 0.02 0.19 99.64 0.11 0.00 0.00 0.00 45 F H H 81.74 10.80 20.28 31.27 91.61 49.37 -64.08 -41.17 0.37 0.00 99.63 0.05 0.02 0.23 99.60 0.10 0.00 0.00 0.00 46 A H H 58.58 3.13 22.65 25.03 91.67 50.42 -64.66 -41.36 0.92 0.00 99.08 0.08 0.05 0.68 99.04 0.15 0.00 0.00 0.00 47 E H H 60.95 9.38 19.92 30.07 92.47 48.89 -66.12 -41.41 2.87 0.01 97.12 0.25 0.21 2.27 97.00 0.27 0.00 0.00 0.00 48 I H H 29.41 16.21 16.80 33.21 92.20 49.47 -65.04 -41.82 2.14 0.01 97.86 0.33 0.20 1.39 97.60 0.47 0.00 0.00 0.00 49 G H H 28.80 6.30 18.51 26.10 91.69 52.10 -62.76 -41.44 2.06 0.01 97.93 0.35 0.17 1.33 97.36 0.78 0.00 0.00 0.00 50 E H H 108.10 2.10 20.83 21.62 92.03 49.56 -65.47 -40.43 1.93 0.01 98.06 0.25 0.16 1.39 96.53 1.67 0.00 0.00 0.00 51 H H H 64.18 10.13 16.12 27.30 92.39 49.83 -66.44 -39.23 2.67 0.01 97.31 0.26 0.18 2.06 94.95 2.54 0.00 0.00 0.00 52 L H H 56.62 13.14 13.01 26.52 91.77 52.49 -66.25 -33.64 5.38 0.02 94.60 0.55 0.36 4.18 89.11 5.78 0.01 0.01 0.01 53 Q H H 128.50 2.06 16.04 18.40 91.60 58.06 -70.27 -23.34 32.87 0.05 67.08 1.03 1.25 30.90 61.80 4.94 0.03 0.02 0.04 54 T C T 97.15 2.13 14.75 17.17 98.90 48.95 -97.47 -0.28 61.17 0.11 38.72 2.47 3.45 54.40 35.29 4.22 0.02 0.04 0.10 55 F C S 76.08 12.74 7.75 20.49 116.77 111.94 -81.31 136.65 98.15 0.57 1.28 46.17 49.00 3.00 0.79 0.39 0.00 0.16 0.49 56 P C C 98.00 3.35 12.73 17.39 101.99 -107.23 -72.60 8.99 98.60 0.58 0.82 53.76 36.90 7.96 0.19 0.61 0.00 0.24 0.33 57 A C S 80.98 2.41 13.57 17.23 120.08 57.01 -110.97 135.12 97.11 2.60 0.29 21.77 73.50 1.83 0.07 0.17 0.00 0.67 1.98 58 P C C 84.93 6.36 12.71 20.70 116.82 -100.77 -69.93 152.00 99.47 0.46 0.08 61.05 37.64 0.81 0.01 0.06 0.00 0.17 0.27 59 P C C 48.61 11.92 10.22 22.89 116.75 -100.81 -67.95 152.73 99.48 0.42 0.10 91.57 7.45 0.40 0.03 0.06 0.00 0.13 0.38 60 P C C 81.44 2.82 16.26 19.27 113.93 -101.61 -66.30 150.58 98.65 0.81 0.54 95.16 2.20 1.11 0.13 0.33 0.00 0.25 0.82 61 I C T 113.42 7.13 10.04 18.56 93.80 -108.21 -62.16 -23.98 99.35 0.12 0.53 3.17 7.04 89.07 0.05 0.53 0.00 0.06 0.08 62 G C T 62.34 1.02 14.36 14.55 95.50 52.26 -88.19 -0.21 99.28 0.08 0.65 3.50 6.79 88.90 0.06 0.68 0.00 0.04 0.03 63 D C C 45.43 9.10 9.34 20.38 115.45 120.09 -74.55 137.74 99.09 0.43 0.49 57.37 41.31 0.27 0.34 0.10 0.00 0.07 0.54 64 P H H 96.72 2.86 15.42 19.02 91.66 -130.54 -61.29 -29.12 27.03 0.04 72.93 1.57 2.59 22.60 71.92 1.27 0.02 0.01 0.03 65 F H H 73.43 10.93 13.74 25.52 92.33 59.84 -67.53 -35.06 9.16 0.02 90.81 0.61 0.54 8.03 89.77 1.01 0.01 0.01 0.01 66 W H H 70.63 12.83 14.26 27.84 91.84 56.25 -63.58 -40.88 0.45 0.00 99.55 0.07 0.03 0.28 99.18 0.43 0.00 0.00 0.00 67 V H H 77.91 4.65 19.13 23.86 91.92 50.85 -64.57 -41.68 0.15 0.00 99.85 0.02 0.01 0.10 99.66 0.20 0.00 0.00 0.00 68 I H H 69.95 6.66 19.35 26.93 91.69 49.69 -64.70 -41.96 0.13 0.00 99.86 0.01 0.01 0.09 99.77 0.11 0.00 0.00 0.00 69 L H H 32.53 14.92 16.64 31.97 91.82 50.57 -64.56 -41.72 0.32 0.01 99.67 0.03 0.02 0.25 99.61 0.09 0.00 0.00 0.00 70 F H H 81.02 10.16 19.26 29.80 91.91 50.43 -64.03 -41.67 0.76 0.01 99.23 0.04 0.04 0.64 99.15 0.12 0.00 0.01 0.00 71 I H H 81.93 5.62 20.91 26.47 92.23 48.78 -65.09 -41.94 0.89 0.01 99.10 0.06 0.05 0.74 99.03 0.11 0.00 0.00 0.00 72 W H H 82.73 11.61 20.05 31.85 92.24 48.63 -64.96 -42.23 1.10 0.01 98.89 0.08 0.07 0.89 98.78 0.17 0.00 0.00 0.00 73 H H H 49.03 14.79 19.48 34.05 92.07 49.59 -65.49 -41.49 1.25 0.01 98.74 0.10 0.08 1.00 98.58 0.22 0.00 0.00 0.00 74 S H H 46.76 7.51 21.84 29.25 91.78 50.21 -64.80 -40.39 1.28 0.00 98.72 0.09 0.07 1.02 98.58 0.23 0.00 0.00 0.00 75 G H H 24.97 7.94 20.66 29.50 92.04 51.24 -65.00 -40.36 2.08 0.00 97.92 0.20 0.11 1.56 97.90 0.23 0.00 0.00 0.00 76 L H H 44.45 13.68 19.30 32.99 92.08 51.49 -65.07 -41.89 1.08 0.00 98.91 0.14 0.08 0.74 98.68 0.37 0.00 0.00 0.00 77 F H H 80.76 10.14 20.77 31.02 91.79 50.60 -63.59 -41.89 0.69 0.00 99.30 0.10 0.05 0.46 98.98 0.41 0.00 0.00 0.00 78 A H H 49.27 6.01 21.14 27.28 91.71 50.38 -64.05 -42.01 0.83 0.00 99.16 0.11 0.05 0.55 98.80 0.48 0.00 0.00 0.00 79 T H H 45.26 9.73 19.13 29.73 91.96 49.56 -65.30 -41.36 1.34 0.01 98.65 0.17 0.10 0.96 97.98 0.79 0.00 0.01 0.00 80 M H H 59.87 11.71 17.99 30.11 92.04 50.79 -64.71 -40.87 2.71 0.02 97.26 0.30 0.20 2.10 95.63 1.75 0.01 0.01 0.01 81 I H H 76.16 7.09 19.10 26.43 92.59 48.28 -66.65 -40.30 5.99 0.05 93.96 0.53 0.46 4.99 91.73 2.21 0.03 0.03 0.02 82 F H H 98.96 6.34 18.01 24.96 93.07 49.07 -68.00 -36.74 12.35 0.23 87.42 1.89 1.65 9.32 81.93 4.86 0.12 0.12 0.11 83 G H H 27.08 9.59 14.88 25.59 93.73 54.94 -67.24 -33.51 30.09 0.48 69.43 4.25 3.14 22.36 58.71 10.84 0.17 0.27 0.25 84 T H H 72.51 6.90 16.54 24.13 95.90 54.62 -77.32 -24.18 41.41 0.96 57.63 5.59 5.05 30.31 46.72 11.00 0.28 0.55 0.51 85 I C T 92.20 6.50 15.06 22.42 102.18 57.10 -83.62 14.70 58.35 2.45 39.19 7.19 10.95 39.10 30.16 9.29 0.55 1.25 1.52 86 G C T 41.08 6.25 15.23 22.31 102.32 27.99 64.05 -11.09 75.91 1.41 22.68 18.20 10.90 47.03 14.95 7.38 0.03 0.71 0.81 87 Y C C 122.64 7.76 12.70 21.49 99.30 71.79 -76.76 -17.84 60.05 3.96 35.99 31.19 11.26 18.46 14.73 20.33 0.06 1.98 1.99 88 N C T 112.54 3.52 15.10 19.65 99.96 60.10 -80.72 6.26 60.61 3.73 35.67 18.50 11.72 31.43 11.35 22.98 0.15 2.03 1.84 89 G C T 43.84 6.79 13.78 21.53 103.29 30.32 50.43 6.99 67.59 3.61 28.80 24.50 14.34 30.61 6.49 20.49 0.04 1.91 1.62 90 Y C C 120.12 8.52 12.08 21.60 111.44 105.98 -93.58 110.82 79.20 6.98 13.82 49.26 19.96 9.51 5.78 7.89 0.02 2.94 4.63 91 G C C 31.99 6.36 13.43 21.23 123.96 -141.58 -105.41 168.35 90.73 2.79 6.48 61.28 24.98 4.30 4.06 2.32 0.00 1.08 1.98 92 P C T 95.30 4.24 12.82 18.32 100.63 -87.70 -68.72 -16.25 60.42 0.84 38.74 12.76 9.86 36.94 17.71 21.64 0.06 0.41 0.63 93 K C T 140.03 2.98 12.98 17.01 99.87 52.57 -76.06 -3.76 58.24 0.75 41.01 10.62 8.26 37.78 19.70 22.65 0.06 0.36 0.57 94 S C G 55.48 7.52 10.89 19.69 100.39 83.96 -77.37 -18.26 50.32 1.87 47.81 18.89 11.20 20.49 21.70 25.70 0.08 0.88 1.05 95 T C C 76.17 7.07 9.99 18.22 102.14 59.06 -89.21 6.25 56.38 3.66 39.96 25.02 13.77 18.44 20.24 18.78 0.16 1.86 1.73 96 T C C 93.74 3.35 10.76 15.65 106.98 86.92 -87.91 77.77 67.14 5.10 27.76 36.06 14.65 17.28 12.96 14.11 0.05 2.88 1.99 97 K C C 138.68 3.55 9.58 14.88 109.29 112.75 -87.03 109.84 80.25 4.86 14.89 66.77 3.28 10.74 7.97 5.99 0.00 3.07 2.18 98 Y C C 144.29 5.60 10.36 17.53 112.80 -155.03 -95.32 123.71 99.84 0.14 0.03 99.76 0.09 0.05 0.01 0.00 0.00 0.07 0.02