# 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 40.27 8.26 18.09 26.81 115.02 -136.47 90.31 153.00 99.78 0.22 0.00 99.19 0.55 0.08 0.00 0.00 0.00 0.16 0.01 1 F C C 80.52 11.90 16.98 29.36 122.65 -115.26 -112.03 135.50 64.18 35.81 0.01 61.36 2.83 0.07 0.00 0.01 0.00 33.15 2.58 2 P C C 59.38 9.07 20.92 30.42 114.01 -113.92 -69.75 143.83 56.94 43.02 0.04 50.22 5.24 0.28 0.01 0.04 0.00 43.56 0.65 3 A E E 7.77 23.75 14.06 37.46 132.65 -156.98 -128.97 155.82 27.57 72.37 0.06 24.03 2.34 0.22 0.01 0.05 0.00 73.02 0.33 4 E E E 85.81 6.47 25.71 32.81 120.92 -136.41 -114.51 133.02 7.48 92.51 0.02 6.63 0.50 0.04 0.00 0.01 0.00 92.62 0.19 5 V E E 28.37 20.51 14.34 34.86 109.50 -119.64 -76.26 123.00 1.64 98.36 0.00 1.50 0.04 0.00 0.00 0.00 0.00 98.41 0.04 6 I E E 74.58 6.75 20.28 28.18 100.93 175.08 -97.37 -33.09 1.61 98.39 0.00 1.11 0.24 0.01 0.00 0.00 0.00 98.63 0.01 7 Q E E 83.31 4.67 22.81 28.11 138.21 -3.35 -153.58 150.80 0.39 99.61 0.00 0.28 0.03 0.00 0.00 0.00 0.00 99.69 0.00 8 I E E 64.16 16.56 13.22 29.26 113.35 -133.11 -98.32 119.43 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 9 L E E 76.56 6.93 17.27 25.52 101.31 176.07 -93.69 -29.56 1.11 98.88 0.01 0.86 0.11 0.01 0.00 0.00 0.00 99.00 0.01 10 D E E 71.81 5.12 18.43 24.67 138.52 -18.45 -162.73 162.09 2.79 97.20 0.01 2.03 0.47 0.04 0.00 0.01 0.00 97.42 0.03 11 R E E 125.25 9.13 11.59 22.04 121.79 -129.11 -115.51 137.38 11.25 88.69 0.05 10.38 0.68 0.08 0.02 0.03 0.00 88.15 0.65 12 T C E 76.41 5.47 11.03 18.32 118.37 -165.88 -114.75 143.72 52.30 47.39 0.31 44.32 6.36 0.97 0.09 0.25 0.00 46.06 1.95 13 G C T 50.96 2.02 12.00 14.91 120.84 1.03 89.28 -163.59 90.87 5.30 3.83 12.86 37.66 40.53 0.27 3.72 0.00 4.04 0.93 14 V C T 135.88 0.80 10.73 11.45 94.70 -51.53 -70.28 -25.19 95.75 0.60 3.65 2.71 22.99 69.84 0.18 3.68 0.00 0.36 0.24 15 T C T 100.50 1.97 11.20 13.87 97.37 47.24 -89.75 -2.20 95.82 0.81 3.37 3.44 16.59 75.47 0.18 3.53 0.00 0.52 0.28 16 G C C 35.87 6.92 11.59 20.02 101.66 -114.51 80.89 5.01 92.34 5.27 2.39 33.62 32.46 26.38 0.25 2.51 0.00 3.64 1.13 17 E C C 103.67 5.15 15.62 21.72 99.12 133.35 -79.41 -10.71 79.87 19.50 0.62 58.68 16.00 4.30 0.09 0.62 0.00 19.06 1.25 18 V E E 42.22 12.39 14.43 28.03 126.69 40.97 -123.45 143.51 30.15 69.81 0.04 27.26 1.75 0.10 0.01 0.03 0.00 70.36 0.50 19 T E E 29.41 13.20 18.06 32.47 123.90 -158.66 -116.40 139.78 2.01 97.98 0.01 1.85 0.08 0.00 0.00 0.00 0.00 98.02 0.04 20 Q E E 54.97 11.92 20.61 33.27 120.43 -147.81 -108.67 134.17 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 21 V E E 10.09 20.58 16.70 37.90 124.73 -168.12 -120.57 138.43 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 22 R E E 81.07 8.70 24.50 33.91 115.73 -137.21 -93.76 129.74 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 23 V E E 7.27 23.43 15.59 39.31 126.62 -172.46 -122.67 141.97 0.52 99.48 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.52 0.01 24 R E E 90.22 7.55 24.38 32.38 119.74 -154.50 -110.61 132.60 1.66 98.32 0.02 1.48 0.08 0.02 0.01 0.01 0.00 98.33 0.08 25 V E E 22.96 17.70 13.37 31.73 110.96 -127.08 -81.84 124.31 16.18 83.59 0.23 15.14 0.98 0.24 0.08 0.13 0.00 82.63 0.81 26 L C C 76.94 6.53 17.01 24.98 99.47 -172.14 -90.57 -30.27 83.24 15.43 1.33 49.36 29.02 5.05 0.25 1.07 0.00 14.24 1.01 27 E C S 114.41 2.30 16.55 19.31 132.98 7.27 -141.93 153.44 87.87 9.23 2.90 14.25 60.82 13.58 0.49 2.15 0.01 6.55 2.15 28 G C S 51.46 1.54 15.24 16.80 121.05 23.40 78.09 -156.09 83.24 1.78 14.97 8.94 53.53 21.12 1.09 13.44 0.00 0.88 1.01 29 R C T 191.93 1.06 13.97 14.89 94.06 -30.61 -73.50 -18.01 78.45 0.79 20.76 2.94 17.32 56.95 0.94 20.98 0.00 0.42 0.46 30 D C T 60.73 10.23 10.25 21.56 96.52 55.68 -95.45 5.63 79.01 1.70 19.29 7.11 13.20 56.88 1.13 19.93 0.00 1.08 0.68 31 K C T 116.88 6.81 11.54 20.51 110.76 131.64 -63.98 131.11 94.55 2.10 3.35 4.64 5.37 84.46 0.58 2.76 0.00 1.28 0.90 32 G C T 56.78 2.20 16.41 18.91 94.37 19.25 83.27 -0.92 95.98 1.93 2.09 5.09 7.74 82.83 0.17 2.17 0.00 1.75 0.25 33 R C C 108.18 7.11 14.77 23.50 119.24 120.38 -86.85 142.85 84.75 14.87 0.38 74.65 8.00 0.97 0.05 0.39 0.00 15.29 0.65 34 I E E 88.65 10.51 15.30 26.70 120.57 -147.94 -111.97 132.31 5.81 94.18 0.01 5.72 0.21 0.01 0.00 0.00 0.00 93.63 0.43 35 L E E 41.21 13.42 16.20 30.80 122.60 -167.06 -116.05 135.20 0.52 99.48 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 36 T E E 69.10 11.45 17.45 29.60 125.66 -165.67 -122.88 136.96 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 37 R E E 80.48 11.17 18.01 30.12 132.95 174.67 -139.90 147.66 0.72 99.28 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.35 0.01 38 N E E 88.13 6.07 21.40 28.01 113.37 -116.56 -80.79 129.89 2.63 97.36 0.00 2.26 0.14 0.01 0.00 0.00 0.00 97.54 0.04 39 V E E 18.90 21.83 10.22 31.20 117.27 -159.00 -105.72 129.28 17.39 82.57 0.03 17.50 0.34 0.02 0.01 0.01 0.00 80.59 1.51 40 K C C 146.44 2.34 19.68 22.01 101.61 -160.02 -93.76 3.28 67.57 32.37 0.05 35.79 31.44 0.67 0.01 0.06 0.00 31.19 0.85 41 G C S 32.06 3.75 20.69 24.54 139.93 -9.46 151.46 -177.18 84.84 15.15 0.01 3.67 80.34 0.84 0.00 0.01 0.00 14.94 0.21 42 P C C 81.23 5.76 19.21 25.69 114.73 -41.25 -68.41 143.46 83.50 16.47 0.02 75.33 7.07 0.25 0.00 0.03 0.00 16.72 0.58 43 V C C 21.55 22.24 10.06 31.37 121.37 -149.76 -109.52 135.44 59.97 39.98 0.04 61.31 0.96 0.05 0.02 0.02 0.00 22.82 14.81 44 R C C 134.28 3.14 22.26 25.43 127.85 -163.25 -115.89 154.77 65.17 34.78 0.05 66.12 1.35 0.08 0.02 0.03 0.00 15.37 17.02 45 L C T 108.09 7.57 13.73 22.84 109.00 -81.60 -58.75 132.65 97.83 1.36 0.80 0.47 2.43 95.38 0.04 0.66 0.00 0.77 0.25 46 G C T 52.54 2.49 18.07 20.92 96.22 22.99 88.89 -5.45 98.56 0.50 0.94 0.66 2.69 95.22 0.04 0.97 0.00 0.38 0.05 47 D C C 48.92 11.72 14.03 26.87 117.86 127.17 -75.54 146.73 90.74 7.06 2.20 82.43 7.33 0.97 0.31 1.76 0.00 6.58 0.61 48 I E E 82.80 9.67 19.07 29.53 119.26 -139.44 -108.04 129.82 14.38 84.56 1.06 13.91 0.66 0.23 0.80 0.25 0.00 76.50 7.64 49 L E E 23.63 19.94 16.13 35.83 122.14 -164.99 -112.31 135.40 8.58 88.43 2.99 7.66 0.61 0.43 2.63 0.46 0.00 87.33 0.88 50 I E E 70.76 9.06 22.99 32.45 117.22 -149.83 -106.24 126.64 17.39 78.36 4.25 15.91 0.87 0.47 3.62 0.59 0.00 77.77 0.76 51 L C C 19.33 21.00 13.92 34.80 108.72 -146.82 -88.20 110.16 49.15 36.49 14.37 44.15 2.20 1.27 12.21 1.73 0.00 37.27 1.16 52 R H H 119.32 5.69 19.94 26.17 96.81 117.10 -68.04 -40.17 30.30 5.61 64.10 24.98 3.15 3.03 59.84 3.36 0.01 5.16 0.49 53 E H H 99.36 4.15 19.32 23.72 93.84 50.02 -66.31 -38.75 12.34 2.30 85.36 8.20 2.10 3.22 80.50 3.61 0.02 2.09 0.26 54 T H H 33.04 11.61 15.30 28.09 93.21 52.42 -67.07 -39.06 7.64 0.82 91.54 5.10 1.15 2.12 86.98 3.86 0.01 0.66 0.12 55 E H H 69.19 10.38 15.67 26.98 92.37 52.84 -64.18 -40.74 4.35 0.20 95.44 2.54 0.68 1.48 93.04 2.07 0.01 0.15 0.04 56 R H H 129.52 2.37 18.49 20.44 92.24 50.66 -65.11 -40.75 4.34 0.15 95.50 2.05 0.65 1.82 93.52 1.80 0.01 0.10 0.04 57 E H H 91.56 3.65 16.63 21.01 92.18 50.02 -65.84 -39.44 6.16 0.15 93.69 2.46 0.85 2.89 91.74 1.89 0.01 0.09 0.05 58 A H H 28.70 10.94 11.50 23.90 92.27 52.87 -65.64 -38.25 11.13 0.20 88.68 4.25 1.54 5.22 86.17 2.63 0.01 0.10 0.08 59 R H H 145.08 2.99 13.75 17.96 92.43 54.18 -66.29 -34.41 23.73 0.38 75.89 7.38 2.87 13.07 72.49 3.82 0.02 0.19 0.16 60 K H H 148.27 1.36 12.74 14.18 94.17 55.48 -70.14 -27.11 40.49 0.68 58.84 12.64 4.17 23.16 55.55 3.80 0.03 0.34 0.31 61 L C C 101.33 4.82 8.82 15.17 99.16 62.74 -81.55 -8.96 60.56 0.76 38.68 38.27 1.89 18.87 38.11 2.11 0.00 0.32 0.42 62 S C C 84.62 2.81 12.81 16.93 104.19 79.97 -81.38 42.91 99.91 0.04 0.05 99.75 0.07 0.12 0.04 0.00 0.00 0.02 0.00