# 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 P C C 68.09 10.13 13.65 24.57 113.86 -114.54 -68.04 147.12 99.89 0.04 0.08 99.78 0.08 0.07 0.04 0.01 0.00 0.01 0.01 1 R C C 143.65 5.53 13.36 20.60 113.93 -133.06 -92.72 136.09 79.33 4.79 15.88 71.25 2.82 5.54 12.07 3.42 0.00 2.82 2.07 2 E C C 120.74 5.31 14.37 21.21 114.11 -126.72 -89.44 130.00 70.08 10.77 19.16 52.24 10.79 6.19 14.46 5.55 0.02 6.60 4.14 3 I C C 40.42 16.82 9.45 25.53 113.95 -150.67 -97.76 121.31 64.63 7.89 27.47 55.66 5.16 4.13 20.38 7.04 0.00 5.73 1.89 4 K C C 137.25 3.31 17.53 21.66 99.37 -168.35 -86.64 -26.58 68.64 3.48 27.87 46.80 14.51 6.89 23.43 5.25 0.01 2.17 0.95 5 T C C 65.19 5.21 19.18 24.81 118.58 39.58 -115.62 139.94 62.98 3.72 33.30 41.67 14.22 7.50 28.85 4.48 0.02 1.81 1.45 6 L H H 32.69 20.36 12.58 32.13 93.04 -126.20 -61.59 -38.14 5.18 0.07 94.75 2.67 0.94 1.73 93.41 1.20 0.00 0.03 0.02 7 K H H 121.88 4.76 19.24 25.12 91.32 56.09 -62.84 -40.03 2.04 0.03 97.93 0.70 0.25 1.07 96.76 1.20 0.00 0.01 0.01 8 E H H 96.89 4.16 21.14 25.33 91.79 50.03 -65.74 -40.02 1.24 0.02 98.74 0.38 0.13 0.68 97.42 1.37 0.00 0.01 0.00 9 F H H 11.42 21.75 16.14 37.96 91.89 50.74 -63.83 -43.43 0.66 0.01 99.34 0.17 0.06 0.36 98.73 0.68 0.00 0.00 0.00 10 L H H 35.81 16.77 19.09 35.48 91.94 50.60 -63.65 -41.53 0.64 0.01 99.35 0.13 0.05 0.37 98.73 0.71 0.00 0.00 0.00 11 A H H 59.28 2.80 23.54 25.34 91.76 51.26 -64.63 -41.33 1.60 0.02 98.38 0.20 0.10 1.16 97.56 0.96 0.00 0.01 0.00 12 I H H 45.67 10.70 19.81 31.42 92.18 49.70 -66.35 -39.63 4.36 0.03 95.61 0.29 0.28 3.69 94.46 1.22 0.02 0.01 0.01 13 C H H 8.64 22.52 13.51 36.05 92.03 56.30 -69.55 -25.11 27.00 0.26 72.75 2.72 2.18 21.86 71.03 1.90 0.06 0.11 0.14 14 S C T 67.09 6.83 19.58 27.11 93.01 62.78 -81.14 -10.70 71.81 0.48 27.70 10.54 5.56 54.08 26.43 2.89 0.01 0.21 0.27 15 R C S 103.92 8.17 13.42 23.29 112.63 97.99 -77.57 131.97 89.55 1.68 8.77 22.94 58.05 7.69 7.71 1.43 0.01 0.44 1.73 16 K C T 161.58 1.94 15.53 18.35 94.27 -135.40 -65.26 -26.47 94.97 0.36 4.67 2.04 8.59 85.20 1.33 2.41 0.00 0.19 0.24 17 D C T 100.44 3.96 16.77 21.48 96.42 52.10 -87.78 1.64 98.07 0.24 1.69 3.93 7.13 87.20 0.28 1.22 0.00 0.15 0.09 18 A C C 17.17 20.58 8.59 28.02 114.43 116.03 -77.07 132.28 84.64 12.97 2.39 79.57 4.22 1.24 0.48 1.76 0.00 11.71 1.02 19 R C C 152.07 3.10 21.56 25.21 99.74 -176.59 -95.23 -27.53 76.21 22.82 0.97 42.71 31.81 1.89 0.28 0.65 0.00 21.98 0.68 20 C E E 43.85 9.21 22.66 32.68 141.84 3.97 -155.83 155.12 17.60 81.34 1.06 13.33 3.51 0.98 0.37 0.57 0.00 80.85 0.39 21 V E E 22.48 23.06 14.74 37.63 128.12 -167.47 -136.88 135.51 4.40 95.07 0.53 3.87 0.35 0.17 0.25 0.17 0.00 95.04 0.16 22 K E E 91.89 7.48 25.09 33.33 123.28 -167.14 -122.48 132.49 4.31 95.22 0.47 3.78 0.30 0.17 0.21 0.15 0.00 95.23 0.16 23 V E E 31.65 20.19 14.98 35.01 117.62 -155.80 -106.83 128.14 15.43 83.94 0.63 13.66 1.15 0.32 0.23 0.29 0.00 84.02 0.32 24 K E E 87.88 8.54 18.31 27.64 116.67 -146.13 -93.43 134.34 41.90 57.51 0.60 35.47 4.79 1.32 0.16 0.40 0.00 57.18 0.68 25 H C C 122.98 7.90 14.99 23.71 100.65 -151.00 -83.06 -13.47 69.92 29.53 0.56 33.70 31.86 4.78 0.08 0.51 0.00 28.14 0.92 26 N C C 69.34 6.16 13.78 21.62 115.93 83.14 -120.84 112.46 84.57 15.07 0.36 56.74 25.68 2.42 0.07 0.37 0.00 13.10 1.63 27 P C T 99.12 4.99 12.62 19.68 93.21 -146.94 -65.97 -22.63 93.99 2.88 3.13 17.02 22.53 53.91 0.18 3.64 0.00 2.29 0.43 28 S C T 85.40 2.12 16.01 18.15 97.44 52.97 -91.80 -9.22 93.28 3.33 3.39 11.39 24.82 56.55 0.17 3.83 0.00 2.85 0.40 29 A C C 35.23 9.88 14.98 26.45 126.27 49.14 -127.97 145.98 68.76 27.76 3.47 29.48 26.47 14.19 0.29 3.34 0.00 24.72 1.50 30 T E E 22.20 16.51 15.62 32.98 118.66 -147.30 -103.85 133.27 34.40 65.47 0.13 30.28 2.51 0.36 0.02 0.10 0.00 66.28 0.45 31 K E E 69.67 11.17 22.76 34.13 123.45 -167.90 -118.99 135.12 5.44 94.56 0.01 4.80 0.41 0.02 0.00 0.01 0.00 94.64 0.14 32 F E E 15.63 21.45 17.37 38.79 130.34 -174.73 -130.10 146.14 0.80 99.20 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.01 33 K E E 72.87 9.69 24.34 34.49 119.88 -148.37 -108.44 132.45 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 34 V E E 8.66 22.11 15.91 38.42 122.26 -167.90 -116.34 132.51 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 35 R E E 106.46 6.77 21.17 28.72 114.98 -154.02 -103.35 123.81 2.76 97.23 0.01 2.41 0.19 0.02 0.00 0.00 0.00 97.25 0.12 36 C C C 27.07 13.92 11.30 25.87 129.14 173.25 -121.41 168.06 70.08 29.88 0.04 66.56 1.89 0.14 0.01 0.03 0.00 30.93 0.45 37 S C S 87.97 2.08 15.03 17.46 94.15 -86.82 -63.70 -33.23 99.59 0.28 0.13 1.50 73.82 24.34 0.00 0.11 0.00 0.18 0.04 38 R C S 177.41 1.56 14.58 16.08 101.96 16.48 -106.25 -12.50 99.52 0.36 0.12 1.12 73.81 24.67 0.00 0.11 0.00 0.25 0.04 39 Y E E 98.11 6.80 14.85 23.31 136.75 28.92 -146.75 155.60 29.52 70.44 0.03 23.43 5.06 0.21 0.00 0.03 0.00 70.75 0.51 40 L E E 68.87 11.81 15.65 28.27 120.19 -137.08 -109.17 131.99 1.95 98.05 0.00 1.85 0.07 0.00 0.00 0.00 0.00 98.02 0.06 41 Y E E 39.94 15.11 18.32 34.27 128.39 -174.32 -126.17 145.33 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.43 0.00 42 T E E 37.29 13.30 22.07 35.80 121.71 -150.12 -112.28 133.77 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 43 L E E 9.60 22.37 19.55 41.99 121.42 -164.97 -114.15 131.32 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 44 V E E 37.31 11.16 25.32 37.41 117.62 -154.96 -106.72 125.91 0.28 99.72 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 45 V E E 8.01 22.25 14.21 36.98 120.75 -165.86 -110.80 133.99 11.68 88.31 0.01 11.67 0.20 0.01 0.00 0.00 0.00 87.71 0.40 46 N C S 100.35 4.74 21.21 26.77 98.39 -167.59 -94.28 -13.41 96.09 3.88 0.04 18.60 76.87 0.56 0.01 0.02 0.00 3.83 0.12 47 D C C 69.60 5.61 18.28 24.97 111.49 73.15 -107.58 114.03 98.49 1.05 0.46 66.67 31.08 0.95 0.30 0.13 0.00 0.49 0.38 48 K H H 107.88 10.61 13.37 24.97 92.93 -157.52 -62.60 -35.78 3.39 0.01 96.60 0.65 0.62 1.99 95.13 1.59 0.00 0.00 0.00 49 K H H 145.53 1.11 20.31 19.46 91.58 54.28 -63.71 -41.08 1.84 0.00 98.16 0.18 0.19 1.38 96.32 1.92 0.01 0.00 0.00 50 K H H 78.08 7.97 18.54 27.48 92.19 47.24 -66.56 -39.87 1.07 0.00 98.93 0.15 0.09 0.74 96.92 2.09 0.00 0.00 0.00 51 A H H 4.10 22.58 12.12 35.01 91.12 52.05 -62.76 -42.94 0.73 0.00 99.27 0.13 0.06 0.44 98.58 0.79 0.00 0.00 0.00 52 D H H 72.91 4.83 21.71 26.87 91.23 51.26 -63.41 -40.58 2.09 0.00 97.91 0.16 0.08 1.67 96.86 1.23 0.00 0.00 0.00 53 K H H 110.10 2.44 22.89 24.07 91.55 50.65 -64.25 -42.12 2.12 0.00 97.87 0.11 0.08 1.72 95.30 2.79 0.00 0.00 0.00 54 I H H 12.34 19.79 15.85 35.92 91.82 50.04 -64.43 -42.22 0.96 0.00 99.03 0.11 0.05 0.66 95.80 3.39 0.00 0.00 0.00 55 E H H 63.50 16.69 16.55 32.45 91.07 53.90 -62.41 -37.66 2.03 0.01 97.96 0.18 0.10 1.58 92.86 5.27 0.00 0.00 0.00 56 R H H 174.83 1.33 20.63 20.91 91.43 55.22 -69.59 -25.25 22.74 0.01 77.25 0.29 0.44 22.98 71.27 4.99 0.01 0.00 0.01 57 S C T 59.71 6.97 17.84 25.70 93.90 53.03 -87.62 -9.42 52.88 0.03 47.09 0.85 1.58 50.19 44.11 3.22 0.01 0.01 0.03 58 I C S 21.38 22.76 9.40 30.99 117.38 96.75 -83.69 138.42 98.43 0.67 0.90 20.28 77.36 0.72 0.79 0.09 0.00 0.12 0.63 59 H C C 96.94 6.07 18.77 25.56 114.97 -110.91 -71.87 144.52 99.58 0.19 0.23 96.98 2.10 0.57 0.08 0.09 0.00 0.08 0.10 60 P C T 87.70 7.77 13.93 22.74 99.41 -107.03 -62.90 -14.48 97.33 0.41 2.26 9.46 10.69 77.28 0.60 1.54 0.00 0.24 0.18 61 S C T 82.05 2.99 17.82 21.21 96.12 46.76 -80.24 3.53 95.35 2.08 2.57 9.97 9.62 75.88 0.61 1.82 0.00 1.81 0.28 62 V C C 31.03 19.09 9.23 27.49 117.50 120.45 -88.70 136.96 73.93 23.37 2.70 59.90 11.75 1.70 1.16 1.47 0.00 22.58 1.45 63 K E E 129.31 3.56 20.84 24.84 115.68 -142.20 -96.71 129.27 26.62 71.48 1.89 25.11 1.27 0.53 1.07 0.72 0.00 69.78 1.52 64 K E E 81.59 16.97 12.87 28.99 120.72 -157.60 -107.87 133.98 18.87 79.30 1.83 17.52 1.06 0.37 1.32 0.50 0.00 78.33 0.90 65 I E E 69.71 8.56 17.76 27.57 122.70 -168.99 -119.30 134.12 21.63 75.98 2.40 20.12 1.05 0.37 1.81 0.57 0.00 75.36 0.72 66 A E E 57.05 8.17 17.42 26.51 113.22 -125.93 -80.32 132.84 32.61 64.18 3.21 30.64 1.15 0.48 2.66 0.72 0.00 63.02 1.33 67 V C C 48.18 14.05 12.48 26.71 101.13 -148.13 -76.09 -28.29 58.67 12.93 28.40 48.65 4.98 4.51 21.36 6.85 0.01 12.62 1.01 68 T C C 79.12 4.43 16.87 21.83 100.59 68.78 -75.88 -24.36 55.50 7.62 36.87 38.76 8.71 8.06 26.84 10.14 0.03 6.31 1.15 69 A C C 57.90 6.45 13.13 20.88 97.68 59.80 -74.18 -24.63 50.22 4.79 44.99 33.29 9.15 8.68 32.24 12.15 0.03 3.41 1.04 70 R H H 123.44 6.30 12.75 20.25 98.88 66.34 -74.25 -29.34 47.31 3.17 49.52 30.64 9.44 8.67 38.31 10.05 0.03 2.00 0.87 71 S C H 63.48 4.78 12.37 18.63 98.54 60.05 -74.28 -28.27 51.68 2.51 45.81 33.76 8.86 9.87 37.18 8.03 0.02 1.52 0.77 72 H C C 121.79 4.13 11.24 16.86 98.71 60.04 -80.44 -16.45 54.68 2.71 42.61 34.20 9.68 11.70 34.20 7.70 0.03 1.56 0.93 73 A C C 70.10 4.51 9.48 15.58 101.88 75.08 -80.13 -7.82 62.49 3.13 34.38 38.99 10.35 13.35 28.49 5.90 0.02 1.77 1.14 74 K C C 148.93 2.24 9.72 13.44 103.63 63.64 -84.18 11.06 77.94 2.32 19.74 62.20 2.48 13.05 16.77 3.10 0.00 1.31 1.10 75 T C C 95.65 3.61 10.86 16.16 107.79 106.55 -88.64 73.63 99.88 0.06 0.06 99.73 0.10 0.10 0.03 0.00 0.00 0.03 0.01