# 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 T C C 81.36 6.12 12.19 19.84 116.92 -164.28 -99.99 141.58 99.84 0.14 0.02 99.69 0.16 0.06 0.01 0.00 0.00 0.06 0.02 1 K C C 148.71 2.92 11.38 15.84 111.08 -128.47 -88.11 123.68 90.89 3.09 6.02 75.58 4.40 11.17 3.01 2.41 0.00 1.69 1.74 2 G C C 45.08 5.47 10.05 16.96 114.75 -70.05 84.46 172.33 85.10 4.49 10.41 42.45 24.53 19.17 4.29 5.25 0.01 2.22 2.08 3 T C C 92.88 4.34 11.04 16.76 107.23 -74.18 -86.31 91.56 77.22 7.45 15.33 51.52 15.97 9.47 7.60 7.77 0.02 3.87 3.78 4 S C C 75.23 4.26 11.23 17.06 106.09 81.83 -81.92 63.68 61.81 6.47 31.72 38.76 11.93 11.74 12.37 18.99 0.04 3.99 2.18 5 S C C 74.18 4.50 12.25 18.15 102.16 80.51 -85.91 1.48 57.65 6.38 35.97 29.19 12.82 16.89 14.21 20.82 0.11 3.89 2.07 6 F C C 108.08 7.99 11.15 20.30 107.11 79.98 -93.50 46.05 57.33 8.12 34.55 27.39 14.30 17.33 14.46 18.55 0.30 4.50 3.17 7 G C C 34.68 6.78 12.52 20.69 120.37 75.33 104.88 -175.06 69.71 8.48 21.81 37.60 18.15 14.86 10.38 10.69 0.10 4.58 3.63 8 K C C 141.70 3.28 12.59 17.23 113.14 -56.76 -88.76 129.72 66.03 10.38 23.58 34.47 17.14 15.78 9.43 13.10 0.16 5.80 4.12 9 R C C 134.38 5.06 9.89 16.64 113.87 -133.88 -92.27 133.05 67.09 9.16 23.75 36.28 14.56 17.19 7.51 15.42 0.09 5.02 3.92 10 R C T 169.80 2.72 11.35 15.54 100.65 -50.53 -67.36 -8.21 79.77 3.41 16.82 18.69 16.06 45.28 4.17 12.18 0.03 1.87 1.72 11 N C T 121.86 2.41 12.57 15.93 99.67 30.83 -89.22 20.86 87.71 1.96 10.34 15.89 23.09 48.81 1.74 8.47 0.00 1.17 0.82 12 K C C 103.16 7.26 12.39 21.11 120.30 108.03 -104.60 141.67 84.43 12.47 3.10 44.21 32.09 8.60 0.71 2.55 0.01 7.37 4.48 13 T C C 65.68 8.28 14.93 24.41 114.77 -130.19 -97.74 132.09 77.12 22.43 0.44 65.88 8.75 1.76 0.09 0.43 0.00 20.78 2.31 14 H E E 60.03 13.57 14.86 28.97 127.22 -155.84 -115.37 144.72 43.85 56.05 0.10 40.06 3.33 0.26 0.02 0.09 0.00 54.99 1.25 15 T E E 40.46 11.06 19.06 31.26 125.87 -154.69 -119.24 142.57 12.72 87.26 0.02 11.67 0.81 0.04 0.00 0.02 0.00 86.66 0.79 16 L E E 67.38 9.99 19.43 30.24 116.91 -125.39 -89.08 135.02 3.92 96.07 0.01 3.90 0.15 0.01 0.01 0.01 0.00 82.56 13.36 17 C C C 12.07 18.96 11.55 31.27 109.42 -117.75 -72.75 127.04 75.57 24.41 0.02 77.22 0.38 0.03 0.00 0.01 0.00 20.76 1.60 18 R C T 143.33 4.81 17.92 24.00 93.42 -149.31 -69.23 -26.35 99.62 0.11 0.26 0.26 3.71 95.68 0.01 0.25 0.00 0.07 0.02 19 R C T 131.82 5.64 16.49 23.09 99.57 46.42 -82.94 -39.36 99.67 0.04 0.29 0.04 1.81 97.95 0.00 0.19 0.00 0.01 0.01 20 C C T 59.71 7.22 14.50 23.10 103.22 18.48 -110.18 -12.65 99.69 0.06 0.24 0.18 2.68 96.92 0.01 0.17 0.00 0.03 0.01 21 G C C 42.19 4.79 16.45 22.37 96.60 -115.47 84.42 3.58 98.65 1.25 0.10 86.50 7.47 4.64 0.03 0.08 0.00 0.67 0.61 22 S C C 39.46 9.77 14.70 26.00 119.70 138.50 -74.50 151.36 95.62 4.37 0.02 89.99 5.92 0.13 0.00 0.02 0.00 3.43 0.52 23 K E E 102.20 8.78 20.97 30.17 121.42 -134.55 -106.64 138.76 18.63 81.36 0.01 18.14 1.43 0.02 0.00 0.01 0.00 76.45 3.95 24 A E E 14.28 19.24 17.23 36.33 130.82 -163.60 -127.63 149.57 12.45 87.54 0.00 11.30 0.43 0.00 0.00 0.00 0.00 88.17 0.09 25 Y E E 48.34 12.59 21.02 34.73 131.04 -165.17 -132.15 147.18 1.79 98.20 0.00 1.70 0.10 0.00 0.00 0.00 0.00 97.55 0.64 26 H E E 40.09 13.02 18.04 32.39 109.75 -114.44 -79.25 124.00 9.41 90.58 0.02 9.31 0.35 0.02 0.01 0.01 0.00 87.73 2.58 27 L C T 61.36 13.30 15.95 29.94 93.69 -150.32 -68.03 -29.46 97.56 0.58 1.86 1.70 7.35 87.99 0.05 2.34 0.00 0.47 0.10 28 Q C T 116.89 3.80 18.18 22.28 97.66 46.39 -84.05 -31.06 96.76 0.71 2.53 1.57 10.12 84.50 0.15 2.97 0.00 0.47 0.21 29 K C T 100.40 5.79 17.90 24.13 121.45 17.91 -128.89 136.08 96.34 0.93 2.74 6.57 15.66 73.24 0.16 3.51 0.00 0.59 0.27 30 S C T 54.13 11.71 15.90 28.14 96.81 -139.08 -66.79 16.91 98.12 1.55 0.34 17.21 13.75 67.08 0.03 0.37 0.00 1.41 0.15 31 T E E 52.31 7.05 21.62 29.75 131.92 103.73 -125.92 154.79 13.59 86.33 0.09 9.62 3.41 0.36 0.05 0.06 0.00 58.51 27.98 32 C E E 15.62 18.67 13.96 33.05 115.04 -113.75 -82.34 140.85 25.45 74.50 0.05 24.50 0.76 0.05 0.03 0.02 0.00 56.80 17.84 33 G C T 27.50 11.09 17.45 29.32 96.72 -136.54 -65.89 -39.75 99.20 0.46 0.35 1.87 4.81 92.49 0.01 0.40 0.00 0.34 0.09 34 K C T 132.64 4.51 19.85 25.03 94.81 41.14 -73.54 -31.24 99.60 0.11 0.29 0.15 2.26 97.27 0.00 0.24 0.00 0.06 0.02 35 C C T 57.48 8.35 16.97 26.48 99.62 27.68 -104.52 -5.22 99.61 0.12 0.27 0.22 2.76 96.70 0.01 0.22 0.00 0.07 0.02 36 G C C 31.01 8.12 16.95 26.41 96.78 -109.61 84.87 8.16 94.93 4.77 0.29 71.32 15.74 8.08 0.10 0.19 0.00 2.11 2.44 37 Y C C 68.16 11.32 13.64 26.46 116.25 145.44 -78.08 139.01 89.97 9.69 0.34 78.31 10.97 0.53 0.19 0.19 0.00 5.52 4.29 38 P E B 67.78 6.89 17.58 25.37 109.43 -105.17 -67.86 144.63 39.14 55.95 4.91 25.72 7.81 2.51 2.35 2.52 0.10 14.46 44.54 39 A C C 44.09 12.48 10.35 22.95 116.33 -131.59 -79.24 148.87 81.81 4.27 13.93 57.45 14.17 8.77 2.04 13.45 0.00 2.83 1.29 40 K C C 164.08 1.53 14.86 16.36 97.73 -120.47 -81.53 -8.29 79.51 4.01 16.48 41.97 24.17 13.26 2.50 14.25 0.00 2.41 1.43 41 R C C 143.02 3.17 11.57 16.50 122.20 65.15 -113.02 143.73 70.88 13.25 15.87 43.19 17.46 10.12 3.12 13.13 0.02 9.39 3.56 42 K C C 146.56 3.26 11.06 16.45 114.68 -115.56 -87.47 133.87 73.49 22.46 4.06 62.53 6.97 2.85 1.59 2.63 0.00 17.01 6.42 43 R C C 117.89 8.33 8.60 18.17 117.50 -141.04 -93.48 137.86 75.86 22.11 2.02 68.41 4.89 1.68 1.07 0.96 0.00 17.18 5.81 44 K C C 157.47 1.71 12.73 15.18 110.03 -149.29 -95.34 124.44 82.24 15.08 2.67 64.18 13.58 4.01 1.39 1.41 0.00 11.84 3.58 45 Y C C 140.22 5.07 9.81 16.63 113.12 -114.47 -99.06 114.98 86.42 6.29 7.29 50.60 24.55 11.35 4.42 2.97 0.01 3.95 2.16 46 N C C 96.74 4.77 10.27 16.69 109.95 -149.40 -101.56 93.96 82.09 3.42 14.48 51.03 16.17 14.77 9.06 5.40 0.01 1.73 1.82 47 W C C 164.17 4.09 11.01 16.58 98.98 154.58 -83.62 -11.87 69.91 1.87 28.22 29.63 16.67 24.11 20.76 7.01 0.04 0.88 0.92 48 S C H 51.20 5.31 11.07 18.18 107.51 82.10 -85.01 115.21 58.19 1.60 40.22 32.27 13.05 13.56 33.12 6.40 0.02 0.68 0.89 49 A H H 66.86 3.05 12.64 16.94 94.17 -128.67 -65.00 -36.77 14.66 0.37 84.97 6.17 3.79 6.08 77.58 6.00 0.04 0.20 0.13 50 K H H 124.73 2.42 14.02 17.07 92.95 54.10 -66.20 -38.61 11.05 0.64 88.31 4.51 2.00 5.58 80.29 6.93 0.06 0.49 0.14 51 A H H 35.44 7.12 11.36 20.63 92.50 52.57 -65.64 -39.48 9.97 0.86 89.17 4.54 1.85 4.66 80.35 7.66 0.05 0.74 0.15 52 K H H 115.71 4.00 14.26 19.35 92.90 53.27 -66.02 -38.42 13.28 1.14 85.58 5.91 2.58 6.27 78.01 6.02 0.09 0.86 0.27 53 R H H 143.19 2.31 14.82 17.50 94.14 51.91 -70.06 -33.59 22.07 1.55 76.38 8.88 3.88 10.96 70.11 4.56 0.13 0.98 0.51 54 R H H 124.55 5.44 13.37 20.05 96.32 58.42 -74.01 -27.35 33.74 1.95 64.30 16.95 6.16 12.31 59.23 3.44 0.07 1.00 0.83 55 N C H 86.92 6.87 12.75 20.64 100.97 69.96 -85.05 3.61 49.69 1.95 48.37 28.07 7.72 14.31 45.05 3.06 0.03 0.91 0.87 56 T C H 83.61 4.55 13.41 19.08 100.65 87.56 -86.21 -16.38 57.34 1.95 40.72 21.06 14.30 22.62 36.50 3.63 0.11 0.89 0.90 57 T C H 83.75 4.07 13.75 18.71 101.77 52.88 -90.34 -8.64 66.81 1.77 31.42 19.83 20.23 26.98 27.78 3.43 0.08 0.72 0.95 58 G C C 40.04 5.77 12.86 20.01 108.35 -117.90 75.73 1.01 82.77 1.54 15.69 35.27 26.42 21.41 10.87 4.48 0.01 0.66 0.88 59 T C C 80.31 5.07 12.78 19.04 100.45 98.43 -85.00 -12.18 65.47 2.02 32.52 30.27 17.47 18.54 23.51 8.16 0.04 0.90 1.11 60 G C H 41.20 4.33 14.33 19.74 99.88 49.69 -44.82 -44.93 53.54 2.35 44.11 20.88 15.01 18.91 29.75 13.07 0.12 1.17 1.10 61 R H H 135.13 4.69 13.72 19.41 95.17 53.29 -70.97 -27.78 44.86 3.36 51.77 22.38 9.38 13.85 36.41 14.66 0.11 1.92 1.28 62 M H H 83.53 8.60 11.67 21.38 97.87 56.78 -80.32 -8.97 41.51 3.33 55.16 25.15 6.70 10.16 40.21 14.60 0.04 2.02 1.13 63 R H H 144.76 3.37 14.66 19.27 93.92 88.76 -65.62 -33.25 39.03 2.39 58.58 15.63 7.22 16.61 46.88 11.23 0.10 1.51 0.82 64 H H H 108.15 4.67 14.45 20.14 96.08 52.19 -81.80 -6.50 34.35 1.69 63.97 13.78 5.30 15.38 52.28 11.52 0.07 1.12 0.54 65 L H H 68.50 9.61 12.34 22.94 96.38 80.55 -68.89 -36.65 18.55 1.28 80.17 10.76 3.27 5.50 69.38 9.89 0.03 0.88 0.29 66 K H H 116.46 4.08 15.64 20.63 94.75 60.53 -67.56 -35.45 17.14 1.82 81.05 8.52 2.78 6.58 71.93 8.38 0.05 1.45 0.32 67 I H H 87.75 3.92 15.54 20.15 95.18 51.84 -70.00 -39.09 16.30 3.15 80.55 8.24 3.04 6.25 72.13 7.07 0.09 2.68 0.49 68 V H H 59.60 7.03 13.68 22.22 93.58 56.71 -67.40 -40.46 17.33 3.63 79.05 10.94 3.13 4.75 73.64 4.02 0.04 2.92 0.55 69 Y H H 106.49 6.12 13.77 21.11 93.49 53.00 -66.88 -38.59 16.88 3.09 80.03 10.74 2.42 4.91 73.35 5.31 0.04 2.80 0.43 70 R H H 128.82 3.17 14.02 18.02 93.54 54.99 -66.85 -37.95 14.20 1.97 83.82 6.86 2.28 5.88 74.28 8.52 0.08 1.79 0.32 71 R H H 131.18 3.51 13.30 17.90 93.40 53.39 -69.13 -36.24 16.19 1.55 82.27 6.20 2.62 8.05 72.71 8.71 0.11 1.25 0.34 72 F H H 107.74 5.71 11.27 18.34 99.49 47.59 -84.63 -17.24 24.73 1.93 73.34 10.28 4.28 11.51 63.71 8.20 0.13 1.28 0.61 73 R H H 147.74 3.48 12.10 16.86 97.36 67.99 -75.13 -24.59 37.70 2.92 59.38 13.64 7.17 18.80 50.62 6.67 0.26 1.55 1.29 74 H C T 130.52 2.78 12.43 16.03 100.87 42.34 -90.95 10.24 62.46 1.56 35.98 10.92 9.63 41.06 30.11 6.49 0.13 0.75 0.90 75 G C T 44.26 4.40 12.36 18.25 104.85 -105.86 82.24 11.85 81.35 1.81 16.84 24.29 13.92 43.68 10.71 5.60 0.02 0.93 0.84 76 F C C 115.40 6.36 9.65 17.60 113.92 130.08 -89.10 129.84 77.01 10.46 12.53 47.54 15.51 13.80 6.89 5.50 0.05 5.06 5.66 77 R C C 141.58 3.46 10.59 15.91 119.20 -168.50 -109.64 136.12 82.24 10.83 6.93 62.13 10.67 8.87 3.58 3.24 0.01 5.02 6.48 78 E C T 142.67 2.81 9.28 14.18 111.09 -115.15 -70.40 132.01 89.73 4.48 5.78 24.01 15.87 50.19 1.75 3.58 0.01 2.57 2.03 79 G C T 64.20 0.85 11.39 11.86 99.52 14.20 84.69 -2.24 95.25 1.55 3.21 16.69 24.06 54.55 0.52 2.66 0.00 0.98 0.53 80 I C C 108.38 3.30 8.35 13.51 117.52 104.09 -101.06 140.97 92.80 4.45 2.75 54.30 31.88 6.44 0.53 2.22 0.00 1.80 2.84 81 T C C 103.34 1.87 9.75 13.09 116.44 -126.08 -90.86 133.63 95.95 3.85 0.20 70.78 24.77 0.74 0.07 0.13 0.00 1.79 1.73 82 P C C 88.04 4.96 7.39 14.34 114.11 -109.56 -66.79 147.40 97.11 2.64 0.24 80.62 15.18 1.27 0.07 0.17 0.00 1.40 1.29 83 K C C 153.07 1.78 8.85 12.37 114.31 -114.41 -85.59 135.28 97.09 2.77 0.14 79.98 16.54 0.53 0.05 0.08 0.00 1.46 1.36 84 P C C 105.91 2.52 7.91 12.51 111.83 -104.74 -65.37 145.26 96.01 3.74 0.25 94.59 0.96 0.85 0.08 0.09 0.00 1.58 1.84 85 K C C 157.60 2.07 9.68 13.44 110.59 -122.89 -85.46 126.46 99.86 0.12 0.02 99.75 0.12 0.05 0.00 0.00 0.00 0.05 0.02