# 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 G C C 48.22 4.19 11.31 16.92 118.00 -142.53 -94.27 168.06 99.83 0.09 0.08 99.61 0.17 0.11 0.04 0.01 0.00 0.04 0.02 1 S C C 86.03 2.29 9.05 12.90 110.52 -126.66 -88.62 114.97 75.39 1.29 23.32 65.68 1.82 7.85 20.91 2.43 0.00 0.61 0.69 2 R C C 173.23 1.72 8.07 11.25 109.69 -129.22 -91.48 107.64 63.00 2.55 34.45 40.31 12.17 10.59 30.56 3.99 0.02 1.20 1.17 3 K C C 132.78 3.28 8.28 13.44 113.11 89.27 -87.57 130.47 58.84 1.87 39.29 42.45 10.19 5.96 36.58 3.21 0.01 0.86 0.74 4 T C H 78.25 2.79 9.56 13.82 113.04 -136.71 -82.10 154.75 51.61 1.40 46.99 42.43 5.54 3.39 45.85 1.68 0.00 0.57 0.53 5 E H H 139.19 1.31 10.77 12.48 94.32 -107.15 -63.56 -37.81 4.50 0.06 95.43 2.29 0.87 1.39 94.91 0.50 0.00 0.03 0.01 6 I H H 109.60 1.41 12.08 13.45 92.71 51.33 -65.43 -40.71 2.22 0.03 97.75 0.85 0.33 1.01 97.35 0.44 0.00 0.02 0.01 7 I H H 78.80 3.47 11.74 16.81 92.27 48.31 -65.83 -41.43 1.18 0.01 98.80 0.42 0.15 0.55 98.56 0.31 0.00 0.01 0.00 8 K H H 109.55 2.72 13.44 17.08 91.93 51.05 -64.14 -40.96 0.73 0.01 99.27 0.25 0.08 0.33 99.17 0.17 0.00 0.00 0.00 9 T H H 78.16 1.66 15.03 16.17 91.90 49.77 -64.90 -41.40 0.71 0.00 99.29 0.19 0.07 0.37 99.26 0.11 0.00 0.00 0.00 10 R H H 128.63 2.27 14.90 17.36 92.05 49.59 -65.00 -41.35 0.64 0.00 99.36 0.14 0.05 0.36 99.34 0.11 0.00 0.00 0.00 11 L H H 83.24 3.51 13.75 18.37 92.29 50.10 -64.73 -40.80 0.64 0.00 99.36 0.13 0.05 0.37 99.31 0.14 0.00 0.00 0.00 12 S H H 58.74 2.02 14.82 16.90 91.83 50.97 -63.86 -40.79 1.22 0.00 98.77 0.20 0.08 0.79 98.71 0.21 0.00 0.00 0.00 13 R H H 139.53 1.50 15.15 16.02 92.37 49.97 -65.84 -39.69 1.59 0.00 98.41 0.21 0.12 1.09 98.19 0.38 0.00 0.00 0.00 14 A H H 49.54 3.53 12.48 17.53 92.29 51.74 -64.87 -40.45 2.39 0.01 97.60 0.34 0.18 1.62 96.82 1.03 0.00 0.00 0.00 15 L H H 97.88 2.46 13.11 16.29 92.54 51.58 -65.74 -37.11 6.77 0.03 93.20 0.89 0.53 4.89 91.35 2.31 0.01 0.01 0.01 16 V H H 100.16 1.84 12.55 14.74 93.66 51.73 -71.71 -31.47 17.96 0.16 81.88 3.23 1.83 12.78 78.54 3.43 0.04 0.07 0.08 17 R H H 159.70 2.04 11.48 14.47 95.77 60.21 -73.64 -22.15 42.22 0.46 57.32 7.32 5.13 29.90 53.83 3.29 0.07 0.18 0.28 18 N C T 116.33 2.44 10.67 14.27 100.38 56.48 -91.96 15.42 71.53 0.71 27.76 19.03 10.08 42.32 24.53 3.33 0.01 0.27 0.43 19 R C C 140.10 3.27 9.84 15.14 119.28 123.59 -95.95 138.90 97.50 1.89 0.62 55.23 41.59 0.98 0.40 0.19 0.00 0.74 0.88 20 P C C 101.88 2.36 11.47 15.21 114.42 -105.23 -67.47 147.44 93.18 6.01 0.81 86.41 5.58 0.75 0.53 0.23 0.00 2.08 4.42 21 I C C 96.37 6.56 8.33 16.68 115.17 -110.46 -80.79 137.42 93.44 3.04 3.52 80.99 10.99 1.25 3.24 0.54 0.00 1.27 1.71 22 P C C 72.37 4.17 11.13 17.18 111.18 -106.11 -65.66 140.57 90.42 2.07 7.51 85.56 2.79 2.15 6.57 1.04 0.00 1.08 0.80 23 V H H 102.92 2.88 11.02 15.35 95.41 -141.27 -67.16 -33.24 29.76 7.07 63.18 18.33 6.80 7.48 54.76 5.87 0.08 5.56 1.12 24 W H H 161.45 2.02 11.05 13.86 94.36 61.32 -67.16 -36.46 16.83 12.46 70.71 9.13 3.30 6.10 61.12 7.62 0.13 11.79 0.82 25 K H H 106.85 3.49 10.29 15.35 94.84 55.30 -68.56 -36.84 9.76 16.24 74.00 5.82 1.72 3.18 63.88 8.02 0.06 16.83 0.50 26 R H H 127.01 3.59 9.99 15.29 95.05 55.56 -69.22 -34.92 10.77 20.04 69.19 6.41 1.81 3.33 60.66 6.76 0.07 20.32 0.65 27 R H H 145.50 2.50 9.99 13.80 96.69 55.26 -74.31 -26.98 17.18 25.26 57.56 10.05 2.79 4.95 51.31 5.21 0.12 24.38 1.21 28 M H H 121.77 2.76 8.90 13.11 100.82 58.29 -82.80 -10.89 27.43 23.83 48.74 14.29 4.82 8.76 43.91 4.60 0.24 21.42 1.95 29 R C H 156.22 2.43 9.03 12.75 104.64 50.77 -92.85 52.11 46.56 16.14 37.30 14.49 8.60 23.48 32.88 4.58 0.78 12.67 2.51 30 G C T 64.56 0.70 10.74 10.97 100.33 -71.07 71.60 1.78 87.48 1.01 11.51 12.14 13.52 61.70 8.86 2.78 0.01 0.59 0.40 31 N C T 114.93 3.10 8.50 13.14 101.48 1.96 -88.19 37.98 91.96 2.12 5.92 21.50 25.32 45.77 2.83 2.64 0.00 1.42 0.53 32 T C C 101.65 1.84 10.05 13.09 108.87 134.60 -95.18 79.89 67.83 26.62 5.55 43.16 18.67 6.74 3.44 2.57 0.03 20.96 4.42 33 Q C C 110.61 4.81 8.69 15.38 116.28 -128.43 -96.11 132.32 62.53 31.04 6.43 49.44 8.22 3.97 4.53 2.58 0.02 26.24 4.99 34 Q C C 116.26 3.77 10.62 16.16 119.19 -164.63 -111.99 135.79 69.37 23.48 7.14 54.29 10.40 3.81 5.57 2.19 0.01 21.00 2.73 35 Y C C 140.45 5.08 9.36 16.29 118.65 -147.81 -105.12 134.74 72.41 18.06 9.53 54.13 13.07 4.50 7.61 2.59 0.01 14.77 3.32 36 N C C 83.57 4.40 9.93 16.21 112.20 -157.94 -106.58 115.41 85.39 6.44 8.18 76.08 5.92 2.95 6.61 1.90 0.00 4.82 1.73 37 M C H 124.88 3.39 9.49 14.69 95.91 -162.66 -68.69 -23.64 50.77 2.18 47.05 20.99 9.99 19.64 30.76 16.41 0.05 1.37 0.80 38 K H H 155.12 1.12 11.03 12.38 93.76 67.63 -68.70 -27.32 47.95 1.85 50.20 15.13 10.36 22.26 33.49 16.80 0.12 1.11 0.74 39 R H H 142.25 3.07 9.53 14.08 97.59 55.97 -83.20 -9.82 45.22 2.13 52.65 23.68 9.55 12.17 34.72 17.83 0.04 1.25 0.76 40 R H H 133.15 4.52 9.29 15.56 100.97 92.78 -71.16 -27.16 46.59 1.79 51.62 29.78 8.30 9.24 39.54 11.43 0.02 1.04 0.64 41 H H H 125.03 2.58 10.41 14.23 103.47 70.13 -86.25 18.32 46.04 2.42 51.54 29.60 6.92 10.28 38.22 12.64 0.02 1.52 0.79 42 W H H 153.62 3.35 9.13 14.19 102.05 85.48 -75.86 -27.91 42.76 2.24 55.01 24.62 7.40 11.52 39.64 14.68 0.03 1.36 0.75 43 R H H 150.63 2.52 9.38 13.32 102.30 60.36 -78.37 -19.29 44.39 2.60 53.01 26.03 7.38 12.10 39.99 12.02 0.03 1.53 0.92 44 R H H 156.12 2.58 8.86 12.92 99.97 64.04 -79.62 -19.81 47.11 1.92 50.97 23.57 9.96 14.64 38.96 11.01 0.05 1.01 0.78 45 N C H 111.23 2.26 8.33 11.99 103.95 69.15 -83.72 4.44 54.39 1.48 44.13 23.69 11.55 19.59 33.48 10.22 0.05 0.75 0.66 46 K C C 158.33 1.27 8.70 10.77 101.36 56.29 -81.03 -10.32 61.32 2.21 36.47 26.10 13.78 21.93 25.90 10.10 0.06 1.19 0.93 47 L C C 117.26 2.63 7.22 11.48 105.99 66.40 -86.83 52.57 69.51 3.98 26.51 34.25 15.34 20.51 17.47 8.57 0.04 2.43 1.40 48 K C C 156.50 1.60 8.33 11.33 108.76 -149.75 -83.42 109.32 81.27 6.72 12.01 53.87 12.27 15.21 6.63 5.29 0.01 4.91 1.81 49 I C C 124.46 2.63 6.89 11.38 111.96 -155.43 -94.55 119.92 88.59 6.18 5.23 81.74 2.20 4.97 3.13 1.62 0.00 4.28 2.06 50 Y C C 164.45 2.90 9.86 14.44 111.81 -154.44 -93.93 117.18 99.77 0.18 0.05 99.48 0.19 0.17 0.02 0.01 0.00 0.10 0.03