# 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 48.78 3.19 14.65 18.73 115.21 -141.77 81.28 10.67 99.91 0.09 0.00 99.83 0.08 0.03 0.00 0.00 0.00 0.05 0.00 1 I C C 112.81 4.98 10.29 16.96 115.08 -81.26 -95.49 131.54 90.93 8.43 0.64 87.70 1.11 2.11 0.13 0.33 0.00 7.85 0.78 2 R C C 136.54 5.45 11.39 18.60 118.82 -162.25 -104.29 137.71 64.34 34.60 1.05 46.36 13.29 4.13 0.19 0.92 0.00 33.65 1.45 3 E E E 93.57 8.60 13.60 23.33 116.66 -144.50 -98.16 132.25 35.61 63.73 0.66 28.21 5.86 1.08 0.10 0.49 0.00 63.79 0.46 4 K E E 92.57 8.85 16.71 26.51 122.08 -160.41 -109.22 137.94 10.56 89.30 0.14 9.14 0.93 0.13 0.03 0.08 0.00 89.50 0.19 5 I E E 25.72 17.41 15.02 33.19 123.74 -164.40 -119.06 136.55 2.84 97.15 0.02 2.54 0.11 0.01 0.01 0.01 0.00 97.26 0.06 6 K E E 81.45 8.65 22.89 32.24 118.76 -148.03 -104.42 131.27 1.37 98.63 0.00 1.16 0.06 0.00 0.00 0.00 0.00 98.75 0.02 7 L E E 15.43 21.56 16.51 38.28 121.26 -162.50 -109.39 134.84 0.90 99.09 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.16 0.02 8 V E E 49.94 8.44 22.33 31.76 122.29 -164.70 -115.97 135.62 1.32 98.67 0.01 1.20 0.06 0.00 0.00 0.00 0.00 98.55 0.18 9 S E E 16.18 16.54 12.16 29.36 115.75 -122.98 -76.47 144.92 27.54 72.40 0.05 25.89 0.87 0.09 0.01 0.03 0.00 72.43 0.67 10 S C T 76.13 4.41 16.79 22.43 93.46 -139.23 -72.73 -18.08 96.51 2.04 1.46 4.24 34.81 57.54 0.07 1.42 0.00 1.67 0.25 11 A C T 68.57 4.76 13.74 19.66 97.66 65.37 -83.11 -0.63 97.04 1.02 1.94 2.16 30.90 64.17 0.08 1.79 0.00 0.61 0.29 12 G C S 54.49 2.58 14.05 17.60 100.14 -92.06 88.16 5.55 96.52 1.90 1.58 14.27 52.75 29.37 0.11 1.73 0.00 1.24 0.53 13 T C C 84.86 4.32 13.18 18.64 101.04 117.69 -91.40 -1.83 94.99 4.27 0.74 39.81 33.60 21.75 0.09 0.88 0.00 3.06 0.80 14 G C S 48.29 4.50 14.20 19.90 99.16 -114.89 82.89 4.18 81.62 18.06 0.31 35.22 39.04 7.25 0.03 0.38 0.00 17.20 0.88 15 H E E 91.94 7.18 14.08 22.83 119.58 128.51 -97.20 138.53 44.61 55.33 0.06 38.53 4.56 0.27 0.01 0.06 0.00 55.83 0.73 16 F E E 103.11 11.00 14.10 25.96 128.00 -166.85 -124.36 143.90 3.95 96.04 0.01 3.53 0.20 0.01 0.00 0.00 0.00 96.11 0.14 17 Y E E 74.87 11.52 15.89 28.66 129.03 -168.59 -130.22 144.66 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 18 T E E 70.61 9.39 16.28 27.07 125.85 -160.06 -123.28 140.73 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 19 T E E 37.37 12.39 15.21 28.99 130.80 -175.96 -133.07 148.61 3.61 96.39 0.00 3.42 0.09 0.00 0.00 0.00 0.00 96.42 0.07 20 T E E 77.21 6.64 18.36 26.27 121.22 -149.50 -112.44 135.23 14.02 85.96 0.02 13.25 0.59 0.04 0.00 0.01 0.00 85.59 0.51 21 K E E 62.37 12.94 12.75 26.54 126.11 -173.17 -119.76 144.58 44.73 55.12 0.15 41.14 2.53 0.23 0.07 0.10 0.00 52.86 3.08 22 N C C 64.53 5.41 14.87 22.00 111.17 -116.81 -77.51 131.16 74.09 25.69 0.22 70.91 2.80 0.42 0.08 0.13 0.00 22.01 3.65 23 K C T 121.82 7.69 10.53 19.58 93.53 -141.22 -65.16 -26.11 95.76 1.84 2.40 6.48 22.73 66.64 0.32 2.02 0.00 1.13 0.68 24 R C T 185.45 0.83 13.11 13.21 94.32 57.87 -74.53 -26.18 97.75 0.49 1.77 2.39 21.56 73.82 0.15 1.56 0.00 0.28 0.23 25 T C T 90.62 2.78 12.35 16.02 102.48 36.78 -99.26 -3.97 95.80 2.27 1.93 11.66 30.14 54.05 0.21 1.84 0.00 1.40 0.70 26 K C C 99.58 8.41 10.16 19.67 109.77 67.33 -101.48 101.63 93.26 6.46 0.27 61.68 30.70 1.52 0.08 0.21 0.00 3.71 2.10 27 P C C 63.76 7.65 11.68 21.09 110.63 -142.81 -69.25 151.16 82.44 6.81 10.75 57.90 11.91 10.86 0.70 12.12 0.00 5.38 1.13 28 E C S 141.03 3.07 14.95 18.88 99.47 -118.99 -75.76 -14.20 76.42 8.95 14.64 29.12 31.15 16.56 0.94 14.09 0.00 7.16 0.98 29 K C C 108.22 6.55 15.54 23.13 116.29 40.09 -111.10 128.84 65.25 19.21 15.55 43.36 11.56 10.10 1.15 14.73 0.00 18.06 1.05 30 L C C 40.15 17.01 11.74 28.34 119.52 -158.77 -108.07 135.07 51.01 45.50 3.49 45.20 3.94 1.47 0.63 2.86 0.00 44.80 1.10 31 E E E 97.69 6.77 19.89 27.50 122.58 -159.19 -115.78 135.74 24.18 75.36 0.46 21.59 1.86 0.53 0.13 0.32 0.00 74.92 0.65 32 L E E 43.07 16.10 13.91 30.19 124.30 -165.14 -118.20 135.25 15.61 84.28 0.11 13.04 1.91 0.16 0.02 0.07 0.00 84.60 0.20 33 K E E 96.85 8.28 18.40 27.71 122.36 -162.89 -117.18 134.49 5.73 94.25 0.02 4.38 1.00 0.03 0.00 0.01 0.00 94.53 0.04 34 K E E 73.40 11.70 16.47 28.98 128.95 -171.91 -128.19 144.81 1.18 98.81 0.01 0.98 0.10 0.01 0.00 0.00 0.00 98.89 0.02 35 F E E 85.86 8.40 15.99 25.96 119.40 -145.24 -109.15 133.45 1.45 98.54 0.01 1.34 0.09 0.01 0.00 0.00 0.00 98.23 0.33 36 D C C 29.02 11.14 11.18 24.58 109.55 -139.99 -94.01 113.62 57.10 42.87 0.03 56.12 0.61 0.08 0.00 0.02 0.00 42.75 0.42 37 P C T 89.74 3.80 13.55 19.14 92.79 -159.10 -67.12 -24.19 99.05 0.12 0.83 0.36 4.38 94.27 0.02 0.87 0.00 0.08 0.03 38 V C T 110.99 1.70 13.08 15.11 97.43 48.36 -77.55 -40.17 99.05 0.18 0.78 0.34 4.58 94.16 0.02 0.74 0.00 0.09 0.06 39 V C T 80.56 3.61 11.36 16.47 99.58 27.47 -99.50 -12.81 99.04 0.35 0.61 1.91 4.87 92.29 0.03 0.61 0.00 0.22 0.08 40 R C T 172.70 2.49 12.11 16.49 94.12 -130.06 58.48 34.85 98.60 1.03 0.36 31.80 5.49 61.31 0.08 0.24 0.00 0.95 0.13 41 Q E E 91.14 3.60 14.99 20.19 130.53 117.24 -125.48 157.14 40.52 59.44 0.04 31.63 6.29 0.54 0.01 0.04 0.00 61.12 0.38 42 H E E 103.08 8.24 14.30 23.87 115.63 -108.66 -82.94 134.78 0.99 99.01 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.04 0.04 43 V E E 29.87 14.02 14.10 29.49 125.78 -171.36 -124.41 141.14 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 44 I E E 78.04 7.37 19.89 28.24 115.53 -132.31 -92.18 129.47 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 45 Y E E 39.40 18.09 13.63 31.71 127.14 -172.74 -120.81 148.02 3.02 96.98 0.01 2.71 0.12 0.01 0.00 0.00 0.00 97.11 0.04 46 K E E 98.26 6.59 20.99 28.40 123.89 -149.31 -116.69 139.75 5.89 94.09 0.03 5.04 0.45 0.07 0.00 0.02 0.00 94.34 0.08 47 E E E 62.91 15.66 13.94 29.51 121.46 -148.89 -102.34 137.56 8.56 91.36 0.08 7.48 0.68 0.14 0.02 0.05 0.00 91.35 0.29 48 A E E 40.19 8.41 16.63 26.63 129.46 -166.83 -129.36 152.11 13.28 86.58 0.14 11.11 1.61 0.36 0.03 0.11 0.00 86.45 0.32 49 K E E 127.79 5.28 14.05 21.12 116.92 -127.10 -98.46 132.90 21.73 78.13 0.15 18.92 2.04 0.40 0.03 0.12 0.00 77.65 0.85 50 I C C 80.31 9.91 8.90 19.71 114.55 -142.66 -92.66 130.46 61.05 38.83 0.12 59.90 0.57 0.24 0.03 0.07 0.00 38.11 1.09 51 K C C 156.96 1.75 13.89 16.42 110.39 -135.77 -85.73 125.70 99.85 0.14 0.00 99.82 0.07 0.02 0.00 0.00 0.00 0.09 0.01