# 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 K C C 127.26 4.90 15.57 21.67 107.10 -137.83 -79.49 97.03 99.69 0.03 0.27 99.55 0.09 0.12 0.20 0.01 0.00 0.01 0.01 1 S C C 58.37 6.73 14.15 21.91 106.40 -107.50 -76.35 144.69 53.83 0.25 45.92 47.29 0.90 5.18 45.11 1.29 0.00 0.09 0.12 2 L H H 66.67 13.92 11.84 25.29 96.20 -49.37 -67.86 -31.71 21.63 0.21 78.16 12.71 3.41 6.26 75.23 2.20 0.00 0.08 0.09 3 E H H 119.69 3.35 17.04 21.12 93.79 59.29 -66.63 -37.98 12.45 0.17 87.38 7.05 2.08 3.89 84.53 2.31 0.00 0.08 0.06 4 S H H 52.94 4.69 18.80 24.03 93.99 51.31 -66.85 -39.48 11.04 0.21 88.76 6.74 1.74 3.40 85.82 2.12 0.01 0.10 0.08 5 I H H 14.52 20.51 15.66 35.93 92.64 50.18 -65.41 -42.92 5.12 0.07 94.81 2.44 0.90 2.06 93.67 0.87 0.01 0.03 0.03 6 N H H 47.96 15.13 18.82 33.50 91.71 51.52 -62.89 -41.77 3.77 0.03 96.20 1.57 0.56 1.63 95.75 0.45 0.00 0.01 0.01 7 S H H 62.04 2.39 23.88 24.77 91.56 50.40 -64.90 -40.99 3.43 0.02 96.55 1.10 0.45 1.76 96.33 0.34 0.00 0.00 0.01 8 R H H 76.93 11.56 21.45 33.00 91.89 49.78 -65.36 -41.30 1.16 0.00 98.84 0.30 0.12 0.62 98.82 0.14 0.00 0.00 0.00 9 L H H 2.96 26.17 15.97 42.59 91.25 50.71 -63.66 -42.31 0.38 0.00 99.62 0.09 0.03 0.18 99.64 0.06 0.00 0.00 0.00 10 Q H H 84.61 8.46 22.25 31.07 91.12 52.69 -61.84 -41.34 0.27 0.00 99.73 0.06 0.02 0.14 99.74 0.05 0.00 0.00 0.00 11 L H H 81.11 3.10 23.41 25.75 91.55 50.48 -63.87 -42.10 0.31 0.00 99.69 0.05 0.02 0.18 99.67 0.07 0.00 0.00 0.00 12 V H H 13.13 17.62 16.43 34.71 91.95 49.74 -64.42 -42.37 0.58 0.02 99.40 0.11 0.05 0.35 99.32 0.15 0.00 0.01 0.00 13 M H H 47.83 18.07 14.96 32.20 91.93 50.77 -64.16 -39.86 1.69 0.03 98.28 0.27 0.11 1.18 97.85 0.56 0.01 0.02 0.00 14 K H H 154.91 1.54 19.35 20.49 91.47 52.32 -66.41 -30.74 7.29 0.03 92.68 0.38 0.35 6.48 92.17 0.58 0.02 0.01 0.01 15 S H H 68.41 3.91 17.17 21.70 93.59 48.93 -85.40 -10.23 38.39 0.07 61.55 0.95 2.37 33.97 61.78 0.84 0.02 0.02 0.05 16 G C T 33.41 10.69 16.32 27.35 99.95 -105.77 81.99 9.97 99.17 0.58 0.25 7.65 35.40 56.15 0.05 0.15 0.00 0.52 0.07 17 K C C 97.66 9.81 21.32 31.09 103.60 105.57 -101.26 34.85 71.59 28.09 0.32 52.67 15.66 1.11 0.04 0.30 0.00 29.79 0.44 18 Y E E 35.96 21.64 17.13 37.95 129.27 69.52 -121.88 142.82 10.54 89.25 0.21 9.16 1.40 0.20 0.08 0.13 0.00 88.16 0.87 19 V E E 24.03 16.31 23.26 39.66 122.11 -160.78 -117.98 132.54 5.13 94.83 0.03 5.28 0.15 0.02 0.02 0.01 0.00 93.51 1.00 20 L E E 50.12 16.60 22.91 38.48 119.88 -156.85 -109.40 131.36 20.38 79.59 0.02 18.09 1.57 0.06 0.01 0.01 0.00 79.75 0.51 21 G C S 15.66 10.56 25.18 36.86 124.10 20.57 97.56 158.11 94.48 2.75 2.77 18.68 73.57 2.14 3.27 0.25 0.00 1.44 0.65 22 Y H H 48.78 21.18 16.58 36.70 91.98 -92.21 -60.99 -39.67 2.11 0.01 97.89 0.20 0.41 1.32 97.82 0.24 0.00 0.00 0.00 23 K H H 132.23 3.56 23.53 27.68 91.45 52.21 -62.95 -41.63 0.84 0.00 99.16 0.05 0.07 0.63 99.02 0.23 0.00 0.00 0.00 24 Q H H 74.57 7.36 23.13 30.76 91.82 47.84 -66.05 -40.39 0.25 0.00 99.75 0.03 0.02 0.16 99.59 0.20 0.00 0.00 0.00 25 T H H 1.80 26.42 16.57 43.68 91.25 50.64 -63.66 -43.41 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 26 L H H 27.12 18.19 21.37 38.91 91.27 50.28 -63.15 -42.42 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 27 K H H 110.66 2.52 26.09 27.39 91.59 50.66 -63.81 -41.98 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 28 M H H 25.28 13.56 20.04 34.60 91.47 49.65 -64.36 -42.38 0.08 0.00 99.92 0.00 0.00 0.06 99.88 0.05 0.00 0.00 0.00 29 I H H 4.24 25.50 14.70 40.48 91.33 49.41 -63.65 -43.13 0.22 0.00 99.78 0.01 0.01 0.18 99.63 0.18 0.00 0.00 0.00 30 R H H 125.34 8.66 19.42 28.75 91.07 51.54 -64.20 -34.03 2.16 0.00 97.83 0.02 0.04 2.25 97.47 0.23 0.00 0.00 0.00 31 Q C T 117.09 2.45 20.22 22.13 92.01 52.57 -84.05 -7.09 74.41 0.01 25.58 0.16 0.67 73.30 25.46 0.40 0.00 0.00 0.01 32 G C T 36.86 11.43 15.49 27.25 95.07 -113.23 79.59 11.64 99.79 0.00 0.21 0.48 1.89 97.52 0.08 0.03 0.00 0.00 0.00 33 K C C 110.72 5.86 22.11 28.69 94.65 123.22 -84.78 -15.04 99.70 0.26 0.04 52.76 46.04 0.94 0.01 0.03 0.00 0.10 0.11 34 A C C 4.23 25.40 12.71 38.14 120.78 74.16 -99.47 138.63 91.66 8.31 0.03 85.05 6.06 0.21 0.00 0.03 0.00 8.36 0.30 35 K C S 90.14 9.31 26.56 37.01 100.43 -170.20 -97.84 -28.47 90.54 9.45 0.01 16.67 73.52 0.17 0.00 0.00 0.00 9.54 0.09 36 L E E 11.69 20.75 26.47 46.52 136.00 14.75 -145.10 143.92 1.63 98.37 0.00 1.22 0.31 0.01 0.00 0.00 0.00 98.41 0.04 37 V E E 1.13 27.20 26.59 53.76 121.05 -162.29 -118.42 127.60 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 38 I E E 2.37 25.51 29.22 54.02 117.14 -163.34 -110.86 124.47 0.03 99.97 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 39 L E E 5.25 24.29 26.76 49.88 126.52 -172.31 -119.27 142.03 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 40 A E E 4.99 22.04 20.64 43.02 115.28 -118.82 -74.71 144.08 24.04 75.95 0.01 23.33 0.51 0.04 0.00 0.01 0.00 75.83 0.28 41 N C T 71.26 11.14 22.03 33.53 93.32 -124.13 -65.92 -24.01 90.93 8.66 0.41 3.45 25.64 62.34 0.02 0.44 0.00 7.75 0.37 42 N C T 96.84 5.06 22.38 28.21 95.28 57.01 -91.90 7.53 97.82 1.86 0.31 6.80 32.06 59.01 0.02 0.38 0.00 1.52 0.21 43 C C S 11.25 23.33 8.87 31.09 117.91 119.87 -75.54 144.33 97.93 1.85 0.22 48.08 49.63 0.42 0.10 0.08 0.00 0.58 1.12 44 P C C 62.28 4.24 18.34 23.28 113.99 -102.63 -63.55 148.72 99.49 0.20 0.31 98.76 0.64 0.22 0.17 0.04 0.00 0.06 0.12 45 A H H 80.98 3.63 13.58 19.17 91.68 -111.97 -57.56 -37.41 17.57 0.06 82.37 2.04 2.12 11.82 65.29 18.63 0.03 0.02 0.04 46 L H H 122.74 1.40 16.79 17.55 91.43 55.98 -65.57 -32.89 14.51 0.06 85.43 1.35 1.44 10.41 68.01 18.68 0.04 0.03 0.03 47 R H H 68.54 14.46 14.33 28.63 94.39 48.06 -78.12 -24.64 11.05 0.10 88.85 2.19 1.21 6.54 69.07 20.88 0.02 0.06 0.03 48 K H H 63.44 17.39 14.54 30.92 92.07 65.12 -60.82 -42.73 4.33 0.03 95.65 1.43 0.62 2.03 93.78 2.12 0.00 0.01 0.01 49 S H H 64.90 2.14 22.90 23.48 91.76 51.42 -64.09 -40.58 4.16 0.01 95.82 0.70 0.34 2.71 94.47 1.77 0.00 0.01 0.01 50 E H H 77.62 7.53 22.09 30.03 91.55 50.23 -64.84 -41.16 1.84 0.01 98.15 0.42 0.16 1.08 97.52 0.82 0.00 0.00 0.00 51 I H H 2.24 26.62 15.48 42.77 91.20 49.82 -64.48 -42.72 0.35 0.00 99.65 0.09 0.03 0.15 99.62 0.11 0.00 0.00 0.00 52 E H H 79.46 12.27 21.77 33.52 91.45 52.10 -62.21 -42.12 0.13 0.00 99.87 0.02 0.00 0.06 99.88 0.03 0.00 0.00 0.00 53 Y H H 128.28 2.14 25.06 25.33 91.65 49.74 -63.62 -42.52 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 54 Y H H 39.13 14.63 20.46 35.43 92.15 48.88 -64.87 -42.40 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.05 0.00 0.00 0.00 55 A H H 4.38 23.04 14.29 37.55 91.50 50.50 -63.46 -42.21 0.26 0.00 99.74 0.02 0.01 0.19 99.65 0.13 0.00 0.00 0.00 56 M H H 116.60 3.59 20.44 24.67 91.85 49.84 -64.33 -40.41 1.14 0.00 98.86 0.05 0.04 1.01 98.58 0.33 0.00 0.00 0.00 57 L H H 103.98 3.84 19.51 23.69 91.63 50.98 -66.21 -34.76 4.79 0.00 95.20 0.12 0.20 4.35 95.04 0.28 0.00 0.00 0.00 58 A H H 25.49 15.73 13.92 30.00 94.38 48.17 -84.79 -6.45 45.10 0.12 54.79 2.03 4.61 36.30 56.15 0.76 0.02 0.03 0.09 59 K C T 162.61 1.71 20.66 22.22 94.39 -124.68 58.60 37.96 99.13 0.08 0.79 8.15 8.83 82.27 0.52 0.16 0.00 0.04 0.03 60 T C C 24.23 19.31 13.42 32.24 125.02 131.76 -116.88 150.65 97.37 2.52 0.11 70.68 25.27 1.39 0.02 0.09 0.00 2.35 0.20 61 G C C 29.94 7.28 25.13 32.80 116.32 -111.83 -79.87 146.37 55.09 44.82 0.09 48.17 4.28 0.58 0.01 0.09 0.00 46.45 0.43 62 V E E 28.57 23.24 15.02 37.53 123.61 -155.96 -117.99 132.04 9.94 90.05 0.01 9.43 0.41 0.02 0.00 0.01 0.00 89.61 0.52 63 H E E 60.77 12.72 23.47 36.10 120.97 -163.45 -110.63 132.01 1.58 98.41 0.00 1.44 0.06 0.00 0.00 0.00 0.00 98.41 0.09 64 H E E 91.37 13.25 21.48 34.25 117.80 -150.03 -101.69 128.77 3.21 96.78 0.01 2.99 0.13 0.01 0.00 0.00 0.00 96.71 0.15 65 Y E E 41.94 19.20 14.33 33.03 123.36 -170.15 -118.82 137.78 31.16 68.76 0.08 29.77 0.97 0.12 0.02 0.04 0.00 68.30 0.77 66 S C C 79.97 3.67 21.00 25.17 106.00 -159.06 -103.10 20.45 75.67 24.12 0.21 45.27 26.09 3.45 0.03 0.21 0.00 24.36 0.58 67 G C S 29.56 9.49 18.53 28.34 134.78 70.73 135.10 -174.25 93.67 5.96 0.38 14.85 74.11 4.79 0.07 0.28 0.00 5.25 0.64 68 N C C 77.96 6.07 22.76 28.78 123.37 -61.33 -97.46 152.32 96.10 2.07 1.83 81.97 12.89 1.21 1.54 0.39 0.00 0.94 1.06 69 N H H 38.33 20.99 14.55 34.56 93.09 -119.06 -61.81 -35.69 7.76 0.05 92.19 1.83 2.31 3.54 91.40 0.86 0.01 0.02 0.03 70 I H H 91.49 6.94 21.68 29.05 92.54 54.27 -65.15 -40.76 3.56 0.03 96.41 0.62 0.52 2.30 95.69 0.84 0.01 0.01 0.01 71 E H H 89.15 5.17 23.52 28.74 92.34 48.96 -65.70 -40.35 1.85 0.04 98.11 0.46 0.26 1.11 97.18 0.95 0.01 0.02 0.01 72 L H H 5.14 23.30 16.21 39.77 91.99 51.78 -63.64 -43.18 0.88 0.01 99.10 0.17 0.11 0.53 98.55 0.63 0.00 0.01 0.00 73 G H H 7.73 16.30 17.06 34.19 91.43 51.27 -62.70 -42.32 1.53 0.01 98.45 0.27 0.15 0.99 97.70 0.88 0.00 0.01 0.00 74 T H H 89.45 2.46 22.21 24.02 92.12 49.74 -65.47 -40.47 2.09 0.02 97.89 0.24 0.17 1.55 96.50 1.52 0.00 0.01 0.00 75 A H H 42.39 11.74 17.93 30.05 92.08 52.92 -66.69 -34.21 6.06 0.02 93.91 0.26 0.37 5.44 92.55 1.34 0.02 0.01 0.01 76 C C T 23.34 18.21 14.63 32.72 94.60 41.83 -89.48 -5.75 55.35 0.06 44.59 0.60 1.76 52.75 43.12 1.69 0.02 0.02 0.05 77 G C T 57.00 1.92 20.73 21.89 94.67 -113.73 78.09 15.04 99.30 0.03 0.67 2.97 4.03 92.51 0.30 0.16 0.00 0.01 0.01 78 K C C 69.23 12.52 11.53 24.72 127.54 119.99 -114.68 154.66 98.40 0.85 0.75 65.01 30.78 2.49 0.24 0.48 0.00 0.28 0.72 79 Y C C 169.62 2.97 17.92 21.67 97.49 -138.57 -83.69 -10.25 95.63 1.49 2.89 48.82 39.00 7.73 0.57 2.39 0.00 0.67 0.83 80 Y C S 88.63 10.74 17.78 29.14 129.17 59.84 -121.68 154.04 92.55 3.07 4.38 33.65 45.31 13.57 0.65 3.87 0.00 1.85 1.09 81 R C C 102.24 12.45 22.30 34.02 110.47 -108.58 -81.52 128.67 88.44 7.10 4.45 46.20 32.24 10.23 0.73 3.91 0.00 5.20 1.47 82 V C C 15.86 22.15 20.25 41.71 121.50 -141.60 -111.53 129.46 68.16 30.52 1.32 56.39 9.77 1.59 0.52 0.91 0.00 27.96 2.87 83 C C C 18.39 19.57 25.35 43.92 102.85 175.49 -99.58 -25.23 60.31 39.46 0.22 39.13 20.59 0.76 0.04 0.17 0.00 38.73 0.58 84 T E E 10.84 21.37 27.08 47.81 133.37 16.23 -137.23 141.52 8.12 91.75 0.14 6.94 0.95 0.12 0.03 0.06 0.00 91.67 0.24 85 L E E 2.96 26.33 25.93 51.79 124.98 -165.99 -122.99 133.87 1.18 98.80 0.02 1.07 0.06 0.01 0.01 0.00 0.00 98.79 0.05 86 A E E 9.72 20.34 28.27 47.81 120.51 -160.45 -113.42 130.56 0.85 99.14 0.02 0.75 0.03 0.00 0.01 0.00 0.00 99.18 0.02 87 I E E 8.41 23.73 21.33 45.09 113.24 -150.61 -97.94 120.86 3.13 96.85 0.02 3.05 0.09 0.01 0.01 0.00 0.00 96.61 0.23 88 I C E 58.27 12.61 22.98 35.57 100.11 173.68 -90.56 -26.89 55.16 44.70 0.13 31.46 23.46 0.94 0.03 0.11 0.00 43.42 0.59 89 D C S 64.06 7.96 21.64 30.26 116.00 30.50 -129.37 105.44 89.35 10.19 0.46 35.80 51.04 2.64 0.13 0.31 0.00 9.14 0.94 90 P C T 53.72 15.87 14.19 29.85 96.43 -154.18 -65.79 -19.45 69.05 2.24 28.72 18.10 12.56 38.81 10.89 17.25 0.04 1.34 1.01 91 G C T 43.06 5.12 19.61 25.28 94.46 62.50 -61.40 -27.43 63.15 1.21 35.64 12.32 10.94 39.23 15.34 20.70 0.06 0.64 0.78 92 D C G 60.20 11.01 16.35 27.99 96.89 52.81 -89.09 -4.12 50.02 1.55 48.43 23.41 8.88 17.63 22.92 25.55 0.04 0.76 0.80 93 S H H 21.30 19.90 11.11 29.73 100.94 85.68 -77.72 -9.52 39.23 1.10 59.67 14.01 6.97 17.46 30.31 30.11 0.06 0.56 0.53 94 D H H 103.31 3.28 19.57 23.15 96.91 109.88 -76.38 -13.20 43.28 1.01 55.71 10.98 7.57 23.16 29.92 27.19 0.11 0.52 0.54 95 I H H 76.60 10.16 15.25 25.97 97.11 68.50 -81.19 -18.89 47.67 3.14 49.20 14.23 9.70 23.17 29.06 20.29 0.36 1.82 1.38 96 I C C 47.38 17.70 10.37 26.78 110.34 76.06 -94.61 112.37 58.57 11.40 30.03 41.04 5.73 12.91 22.58 6.19 0.23 5.69 5.63 97 R C C 156.46 3.97 17.25 22.62 112.74 -147.93 -93.17 126.95 99.78 0.17 0.05 99.71 0.08 0.07 0.03 0.00 0.00 0.10 0.01