# 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 A C C 72.88 4.52 11.80 17.97 114.37 -144.74 -87.90 134.99 99.93 0.06 0.01 99.88 0.05 0.03 0.00 0.00 0.00 0.02 0.01 1 K C C 155.23 2.30 10.23 14.34 114.58 -144.45 -95.15 135.34 94.37 3.07 2.55 79.86 2.21 12.62 0.77 1.41 0.00 2.23 0.90 2 G C C 49.22 3.41 10.90 15.85 116.34 18.95 87.72 168.46 89.27 7.95 2.78 48.27 21.12 20.06 0.37 2.77 0.00 6.28 1.14 3 I C C 110.27 5.22 10.82 17.67 115.17 -112.49 -93.17 130.46 79.34 17.42 3.24 54.50 17.85 6.56 0.49 3.07 0.00 16.07 1.47 4 R C E 126.95 6.93 12.73 21.12 119.25 -158.05 -104.96 136.50 52.88 44.40 2.73 40.89 9.00 3.07 0.56 2.13 0.00 42.57 1.77 5 E E E 90.15 9.72 14.51 25.10 115.54 -151.91 -99.35 130.41 32.70 66.21 1.09 25.99 5.15 1.01 0.23 0.71 0.00 66.46 0.47 6 K E E 97.75 8.30 17.89 26.98 121.40 -153.17 -108.52 135.33 11.56 88.22 0.22 9.82 1.20 0.17 0.06 0.13 0.00 88.42 0.21 7 I E E 25.03 18.16 14.58 33.31 124.55 -166.92 -120.72 137.12 3.02 96.97 0.02 2.72 0.12 0.01 0.00 0.01 0.00 97.07 0.06 8 K E E 85.93 8.15 23.14 31.91 118.46 -149.25 -104.57 130.59 1.21 98.79 0.00 1.04 0.04 0.00 0.00 0.00 0.00 98.89 0.02 9 L E E 15.09 21.81 16.09 38.12 121.13 -162.30 -110.72 132.60 0.82 99.18 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.22 0.02 10 V E E 51.83 8.08 22.42 31.42 121.80 -165.77 -115.62 134.00 1.39 98.60 0.01 1.28 0.05 0.00 0.00 0.00 0.00 98.49 0.17 11 S E E 16.53 16.66 11.98 29.23 115.39 -123.78 -75.73 145.55 29.57 70.37 0.06 27.84 0.94 0.10 0.01 0.03 0.00 70.39 0.67 12 S C T 77.37 4.20 16.83 22.28 93.61 -142.37 -73.21 -16.86 96.74 1.94 1.31 4.22 38.15 54.49 0.06 1.25 0.00 1.58 0.24 13 A C T 68.47 4.76 13.73 19.69 97.76 66.33 -83.48 -0.98 97.21 1.09 1.70 2.09 33.30 62.05 0.07 1.56 0.00 0.65 0.29 14 G C S 53.46 2.71 14.17 17.85 101.13 -92.97 89.43 6.02 96.34 2.24 1.43 15.57 53.37 27.30 0.10 1.58 0.00 1.50 0.58 15 T C C 84.55 4.46 13.18 18.83 101.84 115.34 -90.27 -2.46 94.01 5.20 0.79 37.06 34.80 22.43 0.10 0.92 0.00 3.69 1.01 16 G C S 47.64 4.81 14.21 20.26 99.15 -111.70 82.71 5.50 81.08 18.58 0.34 32.88 38.86 9.22 0.03 0.42 0.00 17.65 0.93 17 H E E 90.16 7.38 14.14 23.07 119.62 127.96 -95.91 140.53 47.71 52.22 0.06 41.39 4.73 0.29 0.01 0.06 0.00 52.78 0.74 18 F E E 102.44 11.07 14.26 26.17 128.00 -168.26 -125.55 144.51 4.57 95.42 0.00 4.11 0.23 0.02 0.00 0.00 0.00 95.46 0.18 19 Y E E 73.81 11.74 16.05 29.00 127.70 -167.24 -128.44 142.99 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.61 0.01 20 T E E 69.63 9.51 16.46 27.32 125.40 -159.80 -121.61 140.14 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 21 T E E 36.96 12.56 15.33 29.23 130.70 -175.56 -132.83 148.86 2.62 97.38 0.00 2.48 0.05 0.00 0.00 0.00 0.00 97.43 0.04 22 T E E 75.03 6.94 18.53 26.67 121.42 -147.32 -113.30 136.42 10.52 89.47 0.01 9.91 0.43 0.02 0.00 0.01 0.00 89.30 0.33 23 K E E 63.52 12.70 13.25 26.85 126.24 -171.11 -120.72 145.07 35.67 64.22 0.11 32.90 1.95 0.16 0.05 0.06 0.00 61.98 2.90 24 N C C 59.51 5.98 14.73 22.60 111.64 -119.79 -78.68 131.60 67.27 32.55 0.18 64.66 2.27 0.31 0.07 0.11 0.00 28.85 3.75 25 K C T 120.82 7.76 10.82 19.92 93.23 -139.97 -65.08 -25.25 96.36 1.63 2.01 5.06 22.39 69.00 0.24 1.71 0.00 1.04 0.56 26 R C T 184.94 0.84 13.24 13.34 94.88 57.24 -75.85 -27.16 98.06 0.44 1.49 2.06 22.23 73.82 0.12 1.31 0.00 0.26 0.20 27 T C T 89.36 2.88 12.42 16.22 103.65 37.19 -100.61 -2.92 95.95 2.26 1.79 12.13 33.10 50.77 0.19 1.72 0.00 1.39 0.70 28 K C C 110.32 7.73 10.78 19.68 107.97 -120.47 -96.30 95.15 93.74 6.06 0.20 64.11 28.85 1.35 0.05 0.17 0.00 3.68 1.78 29 P C C 56.76 8.93 11.32 21.89 113.92 -141.04 -69.32 150.34 81.74 8.04 10.23 60.67 10.87 8.60 0.62 11.38 0.00 6.52 1.35 30 E C C 140.75 3.09 15.13 19.17 98.10 -123.24 -74.72 -15.93 75.15 9.80 15.06 31.63 30.80 13.03 0.85 14.59 0.00 8.18 0.91 31 K C C 108.53 6.40 15.97 23.38 124.30 35.03 -119.07 140.48 62.10 21.73 16.17 42.19 11.51 8.29 0.98 15.17 0.00 20.89 0.96 32 L E E 39.76 17.11 11.97 28.70 122.00 -162.69 -112.85 137.17 45.18 49.96 4.86 39.63 3.65 1.58 0.76 3.90 0.00 49.42 1.05 33 E E E 98.23 6.61 20.05 27.52 121.61 -155.30 -113.23 135.01 21.53 78.22 0.25 19.32 1.64 0.36 0.07 0.18 0.00 77.90 0.53 34 L E E 41.74 16.43 13.79 30.34 124.37 -165.38 -118.45 136.12 12.55 87.40 0.05 10.50 1.40 0.10 0.01 0.03 0.00 87.83 0.14 35 K E E 98.03 8.07 18.58 27.71 122.80 -163.24 -118.55 134.80 3.82 96.17 0.01 2.84 0.75 0.02 0.00 0.01 0.00 96.35 0.03 36 K E E 73.86 11.56 16.62 28.97 129.04 -171.72 -128.41 146.08 0.97 99.02 0.00 0.80 0.08 0.01 0.00 0.00 0.00 99.10 0.01 37 F E E 86.58 8.56 16.15 26.19 119.14 -145.55 -106.52 134.39 1.42 98.57 0.01 1.32 0.08 0.01 0.00 0.00 0.00 98.33 0.26 38 D C C 27.58 11.58 11.13 24.89 109.46 -136.71 -94.85 115.22 55.43 44.54 0.03 54.39 0.60 0.07 0.00 0.01 0.00 44.52 0.39 39 P C T 89.37 3.82 13.87 19.46 92.68 -157.89 -66.99 -24.12 99.01 0.14 0.84 0.45 5.20 93.29 0.02 0.92 0.00 0.10 0.03 40 V C T 109.23 1.84 13.27 15.56 97.66 47.44 -78.41 -39.94 98.97 0.25 0.78 0.49 5.90 92.60 0.02 0.76 0.00 0.14 0.08 41 V C T 78.20 3.96 11.43 16.97 99.74 27.69 -99.46 -12.76 98.80 0.56 0.63 3.19 6.10 89.55 0.04 0.65 0.00 0.36 0.12 42 R C T 172.27 2.53 12.34 16.73 94.38 -130.71 58.25 34.87 98.14 1.47 0.39 30.21 6.31 61.63 0.08 0.28 0.00 1.34 0.16 43 Q E E 90.72 3.68 15.25 20.50 130.36 115.96 -124.94 157.05 38.57 61.38 0.05 29.21 6.55 0.63 0.01 0.05 0.00 63.18 0.38 44 H E E 101.84 8.30 14.68 24.25 115.41 -107.63 -79.20 135.26 1.21 98.79 0.00 1.09 0.03 0.00 0.00 0.00 0.00 98.84 0.04 45 V E E 27.38 14.72 14.16 30.13 126.32 -171.51 -124.45 141.89 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 46 I E E 74.38 7.66 20.34 28.98 115.62 -132.60 -92.31 129.31 0.31 99.69 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 47 Y E E 35.76 18.72 14.02 32.67 126.52 -172.36 -119.57 148.05 2.27 97.72 0.00 2.08 0.06 0.00 0.00 0.00 0.00 97.83 0.02 48 K E E 94.85 7.01 21.57 29.29 124.38 -150.35 -116.80 140.99 4.14 95.85 0.01 3.66 0.17 0.01 0.00 0.00 0.00 96.11 0.04 49 E E E 59.54 15.99 14.41 30.31 121.56 -145.26 -104.22 138.30 5.78 94.19 0.03 5.24 0.28 0.04 0.01 0.01 0.00 94.25 0.17 50 A E E 37.85 8.88 16.82 27.29 130.05 -168.56 -130.33 152.61 10.50 89.42 0.08 8.96 1.18 0.21 0.02 0.06 0.00 89.30 0.27 51 K E E 125.97 5.49 14.27 21.52 116.85 -126.50 -98.08 132.95 20.17 79.71 0.11 17.69 1.85 0.31 0.02 0.09 0.00 79.31 0.73 52 I C C 80.26 9.88 9.10 19.90 114.42 -144.07 -93.48 130.66 57.04 42.86 0.10 55.98 0.58 0.18 0.02 0.06 0.00 42.06 1.11 53 K C C 156.11 1.83 13.85 16.50 109.85 -138.91 -85.64 123.72 99.85 0.14 0.00 99.82 0.06 0.02 0.00 0.00 0.00 0.09 0.01