# 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 M C C 111.37 5.96 12.32 19.73 117.77 -160.10 -101.43 133.78 99.87 0.13 0.01 99.87 0.05 0.01 0.00 0.00 0.00 0.06 0.01 1 V C C 98.75 4.48 10.92 17.08 115.13 -134.50 -89.35 134.36 79.42 11.57 9.01 76.96 1.02 2.13 7.58 1.30 0.00 6.28 4.72 2 L C C 95.08 6.69 9.43 17.57 110.38 -140.74 -86.33 123.92 77.80 6.34 15.86 63.89 8.56 4.49 14.13 2.96 0.00 3.75 2.22 3 V C C 76.39 7.02 10.69 19.06 108.43 60.42 -86.63 114.91 69.76 5.48 24.77 60.81 5.25 3.75 20.87 4.22 0.00 3.14 1.96 4 Q H H 112.06 4.42 12.36 18.20 99.52 -142.05 -75.11 -28.43 23.47 2.46 74.07 11.68 4.61 7.80 49.74 23.73 0.08 1.84 0.52 5 D H H 92.10 4.42 12.84 18.59 97.11 57.51 -75.30 -16.43 20.08 1.36 78.55 8.10 3.16 8.22 51.01 28.15 0.05 1.01 0.30 6 L H H 79.93 8.84 12.03 21.78 97.14 61.70 -76.54 -17.57 21.50 1.05 77.45 6.46 3.55 10.55 50.43 27.95 0.08 0.67 0.31 7 L H H 85.53 8.14 13.35 22.41 97.60 58.40 -85.04 -11.48 42.06 2.24 55.70 10.74 12.43 21.40 40.66 11.81 0.57 0.98 1.41 8 H C S 115.99 4.94 14.05 20.42 111.53 59.79 -108.23 102.77 98.47 1.26 0.27 26.99 71.06 0.68 0.17 0.07 0.00 0.45 0.58 9 P C C 49.73 10.45 9.57 21.30 118.37 -138.54 -72.73 153.60 98.20 1.69 0.11 92.80 5.15 0.20 0.07 0.03 0.00 0.50 1.24 10 S C C 59.94 2.50 15.29 17.96 116.98 -103.35 -69.89 157.40 99.59 0.25 0.16 98.63 0.93 0.06 0.13 0.01 0.00 0.06 0.18 11 P H H 92.49 4.32 11.13 17.23 92.20 -106.09 -57.87 -38.42 4.59 0.03 95.38 1.39 0.64 2.46 94.17 1.33 0.00 0.01 0.01 12 A H H 76.35 1.40 13.57 14.74 92.02 52.71 -64.76 -39.95 3.45 0.08 96.47 1.16 0.42 2.02 94.71 1.61 0.01 0.05 0.02 13 T H H 70.09 2.46 13.79 16.84 92.51 48.26 -66.17 -40.12 2.19 0.15 97.67 1.04 0.33 1.05 95.73 1.70 0.01 0.13 0.02 14 E H H 69.24 6.45 11.86 20.35 92.37 50.80 -64.91 -40.52 1.99 0.11 97.90 0.94 0.30 0.92 96.94 0.80 0.01 0.07 0.02 15 A H H 52.96 4.56 13.59 19.68 91.96 51.46 -64.34 -40.17 4.15 0.12 95.72 1.29 0.43 2.43 94.78 0.96 0.01 0.08 0.03 16 K H H 131.62 1.85 15.61 17.38 92.53 49.91 -67.18 -37.91 9.04 0.10 90.86 1.28 0.70 6.62 90.25 1.06 0.01 0.05 0.03 17 Q H H 102.26 4.05 15.21 20.28 93.48 51.04 -70.52 -30.99 23.74 0.28 75.98 4.07 2.68 16.59 75.02 1.37 0.03 0.12 0.13 18 H C H 78.24 9.37 12.87 23.38 100.46 56.16 -81.66 -7.85 55.06 1.81 43.12 23.60 8.42 22.20 41.80 2.37 0.03 0.84 0.74 19 K C C 111.04 5.03 16.73 22.66 102.12 98.96 -69.82 -9.32 55.98 5.01 39.01 37.29 7.02 11.13 35.21 4.68 0.03 2.86 1.78 20 L H H 75.38 10.75 14.10 25.26 98.83 59.92 -68.76 -34.12 34.73 4.01 61.25 17.95 6.21 10.70 44.23 17.07 0.08 2.78 0.97 21 K H H 114.18 6.49 16.45 23.80 95.97 62.00 -71.53 -28.40 33.03 4.68 62.29 15.19 5.80 11.92 43.23 19.29 0.11 3.48 0.98 22 T H H 66.07 7.14 16.77 24.69 97.22 55.73 -79.83 -27.50 35.82 7.20 56.98 16.28 6.93 13.04 38.39 18.29 0.18 5.44 1.45 23 L C H 56.46 12.61 14.84 27.69 98.20 63.09 -77.04 -28.74 46.61 11.79 41.60 22.25 13.82 13.31 30.62 8.73 0.36 7.33 3.58 24 V C C 50.59 12.76 12.64 25.88 109.98 65.42 -94.34 106.20 67.52 8.96 23.52 37.86 17.74 12.33 19.34 4.19 0.10 5.55 2.89 25 Q C C 120.66 3.85 15.86 20.66 98.24 82.53 -76.74 -20.36 85.19 3.59 11.22 43.47 25.31 16.60 7.56 3.63 0.01 2.06 1.35 26 Q C C 89.94 5.95 13.42 20.95 117.85 49.60 -115.06 125.66 95.52 2.44 2.04 48.52 42.36 4.64 0.80 1.11 0.00 0.98 1.59 27 P C T 84.36 7.04 13.02 21.40 99.27 -128.57 -65.62 -1.70 94.21 0.56 5.23 11.94 11.36 70.40 0.64 5.07 0.00 0.33 0.26 28 R C T 156.45 4.10 15.97 21.14 98.08 45.65 -80.85 18.56 94.10 1.34 4.56 12.65 11.46 69.54 0.54 4.46 0.00 0.93 0.41 29 S C C 34.08 13.63 12.79 26.99 117.90 126.28 -91.63 141.44 83.96 11.16 4.88 60.47 15.68 7.43 0.82 4.66 0.00 8.49 2.45 30 F C C 91.11 10.21 18.42 29.01 115.25 -163.10 -107.69 127.72 74.94 23.61 1.46 42.68 27.14 5.57 0.29 1.27 0.00 21.29 1.76 31 F E E 68.42 15.65 16.06 31.25 119.67 -133.80 -104.44 132.90 29.82 69.48 0.70 23.86 5.01 1.32 0.18 0.54 0.00 67.76 1.33 32 M E E 61.14 12.44 18.16 31.04 123.31 -171.31 -117.75 144.02 11.51 88.24 0.25 9.12 2.16 0.39 0.07 0.16 0.00 87.67 0.43 33 D E E 83.32 8.28 20.34 28.90 111.30 -114.37 -91.56 115.67 5.11 94.71 0.18 4.19 0.67 0.19 0.04 0.12 0.00 94.64 0.15 34 V E E 28.95 17.60 14.79 32.51 123.97 -175.66 -120.58 133.91 6.81 93.01 0.19 6.24 0.36 0.09 0.06 0.09 0.00 92.82 0.34 35 K E E 126.82 4.71 21.38 27.22 116.50 -150.32 -100.47 128.89 19.74 79.92 0.34 17.27 1.92 0.45 0.11 0.22 0.00 78.60 1.43 36 C C C 16.92 20.41 10.54 30.12 118.46 -155.38 -101.30 134.82 83.90 15.87 0.23 78.20 4.37 0.62 0.04 0.20 0.00 15.44 1.14 37 Q C T 130.17 2.71 18.16 21.44 108.33 -96.76 -61.31 131.09 95.72 2.43 1.85 1.85 10.63 83.22 0.09 1.97 0.00 1.88 0.36 38 G C T 53.46 3.00 17.05 20.61 95.10 14.86 85.60 -2.54 97.17 1.48 1.35 1.37 11.09 84.64 0.05 1.51 0.00 1.20 0.14 39 C C C 23.94 18.09 8.71 25.95 125.07 102.35 -110.39 143.42 66.84 32.31 0.84 54.32 10.39 1.75 0.17 0.86 0.00 27.50 5.00 40 L C S 111.95 3.24 17.44 21.32 98.33 -157.19 -82.66 -26.11 61.31 38.14 0.56 16.28 36.05 9.73 0.07 0.51 0.00 36.00 1.35 41 N C E 98.41 3.93 19.82 24.25 124.29 12.15 -130.56 139.91 51.16 48.34 0.51 17.76 24.40 9.11 0.07 0.41 0.00 47.68 0.56 42 I E E 51.51 18.49 12.21 29.77 119.81 -159.52 -111.53 128.45 29.87 70.01 0.12 27.40 1.47 0.18 0.04 0.06 0.00 70.50 0.35 43 T E E 58.44 8.58 21.10 30.08 116.93 -174.96 -112.64 130.34 7.07 92.73 0.21 6.21 0.50 0.08 0.12 0.06 0.00 92.85 0.18 44 T E E 47.15 13.97 19.19 33.12 125.33 -137.63 -122.49 137.98 2.02 97.81 0.16 1.76 0.12 0.02 0.11 0.03 0.00 97.88 0.08 45 V E E 32.73 14.92 18.95 34.47 120.71 -166.02 -116.88 130.68 3.21 96.58 0.21 2.75 0.24 0.06 0.12 0.06 0.00 96.64 0.13 46 F E E 55.20 13.73 18.43 32.69 119.09 -158.39 -110.78 127.93 15.45 84.00 0.55 12.91 1.74 0.61 0.19 0.30 0.00 83.60 0.65 47 S C E 43.57 11.23 17.37 29.04 113.92 -161.51 -100.87 149.93 63.49 31.06 5.45 21.03 18.03 25.71 0.59 4.61 0.01 28.96 1.07 48 H C T 119.06 6.26 19.20 25.65 99.05 -3.93 -35.45 17.99 84.26 9.64 6.10 18.46 26.53 39.57 0.72 5.34 0.01 8.28 1.10 49 A C T 34.72 13.70 14.25 28.23 121.29 83.17 -108.17 147.15 84.08 10.06 5.86 27.85 26.62 30.12 0.66 5.31 0.01 8.12 1.31 50 Q C C 104.10 7.99 19.02 27.57 104.35 -134.52 -91.44 20.06 73.07 25.29 1.64 26.85 25.47 21.14 0.19 1.48 0.00 23.86 1.00 51 T E E 46.69 12.27 19.55 32.14 125.73 105.99 -119.26 146.43 35.04 64.38 0.58 21.02 11.23 3.30 0.09 0.52 0.00 63.22 0.61 52 A E E 27.56 14.53 21.15 35.90 117.17 -122.09 -90.55 138.00 11.03 88.88 0.09 9.83 0.75 0.11 0.02 0.05 0.00 88.97 0.28 53 V E E 10.81 21.08 19.57 40.88 120.02 -158.10 -114.24 129.84 2.47 97.51 0.03 2.19 0.15 0.02 0.01 0.01 0.00 97.49 0.12 54 T E E 43.78 10.83 24.16 35.43 123.30 -162.63 -114.15 137.85 3.23 96.73 0.04 3.00 0.19 0.04 0.02 0.02 0.00 96.06 0.67 55 C C E 9.10 20.87 12.82 34.27 113.12 -118.12 -72.33 136.58 50.72 49.15 0.13 48.44 1.27 0.24 0.03 0.09 0.00 48.59 1.35 56 D C T 93.89 5.37 19.23 25.48 93.99 -133.12 -67.06 -25.72 97.54 1.58 0.88 2.27 16.29 78.91 0.03 0.96 0.00 1.33 0.20 57 S C T 72.17 4.36 17.64 22.65 98.89 40.56 -89.38 -21.88 98.53 0.72 0.75 1.15 15.60 81.77 0.02 0.82 0.00 0.50 0.14 58 C C T 46.83 11.55 12.80 24.75 123.28 21.57 -130.22 147.71 95.37 3.57 1.05 13.67 30.20 51.51 0.06 1.30 0.00 2.48 0.78 59 S C C 84.29 3.51 17.88 22.35 94.95 -136.55 17.75 4.45 95.35 4.21 0.44 48.49 34.88 11.87 0.06 0.49 0.00 3.55 0.66 60 T C C 60.20 7.65 17.95 26.87 118.36 121.39 -82.80 143.25 74.62 25.16 0.21 45.92 27.22 1.72 0.03 0.22 0.00 23.25 1.64 61 V E E 56.91 13.31 18.68 32.33 110.25 -117.65 -78.92 125.36 5.06 94.92 0.02 4.76 0.28 0.02 0.01 0.01 0.00 92.30 2.62 62 L E E 15.90 19.90 19.44 39.59 99.04 -174.58 -90.85 -27.05 8.79 91.19 0.01 4.09 4.45 0.18 0.00 0.01 0.00 91.19 0.08 63 C E E 7.84 21.34 17.20 38.98 138.93 8.94 -148.69 151.84 1.16 98.83 0.01 0.93 0.16 0.02 0.00 0.00 0.00 98.84 0.04 64 T E E 65.53 6.70 24.09 31.32 123.73 -155.56 -125.51 134.50 0.90 99.09 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.11 0.02 65 P E E 50.38 16.39 11.88 27.77 113.20 -113.03 -69.75 137.98 3.93 96.07 0.01 3.56 0.13 0.01 0.00 0.00 0.00 96.18 0.10 66 T E E 77.46 4.57 14.13 20.59 121.11 176.70 -135.39 123.43 15.08 84.68 0.24 11.33 3.47 0.93 0.06 0.22 0.00 81.98 2.00 67 G C T 67.92 0.53 14.48 13.07 94.19 -16.84 58.53 30.94 99.13 0.38 0.49 0.55 11.70 86.85 0.01 0.58 0.00 0.27 0.05 68 G C T 50.31 5.70 13.00 19.76 94.83 -47.57 82.12 1.72 99.35 0.17 0.48 0.70 12.60 86.00 0.01 0.55 0.00 0.11 0.02 69 K E E 113.21 3.71 18.45 23.42 128.67 92.95 -119.68 146.90 12.54 87.39 0.07 8.57 4.08 0.49 0.01 0.06 0.00 85.74 1.05 70 A E E 18.08 21.07 11.70 32.29 116.28 -122.78 -84.35 135.57 5.37 94.63 0.01 4.87 0.20 0.02 0.00 0.00 0.00 94.82 0.09 71 K E E 98.49 5.42 23.86 29.79 127.56 -171.14 -126.96 142.48 2.75 97.24 0.01 2.48 0.13 0.01 0.00 0.00 0.00 97.27 0.09 72 L E E 56.31 17.70 13.34 30.32 113.20 -116.39 -77.74 134.74 8.69 91.26 0.04 8.45 0.31 0.04 0.02 0.02 0.00 89.52 1.64 73 T C C 53.80 9.51 15.39 26.05 119.00 -142.61 -90.53 153.08 79.35 19.19 1.46 70.83 5.18 2.23 0.21 1.38 0.00 19.19 0.97 74 E C T 151.71 1.91 16.21 18.49 110.51 -80.88 -64.78 136.12 84.59 12.03 3.39 8.06 16.92 60.02 0.31 3.30 0.00 10.14 1.24 75 G C T 55.74 2.30 16.82 19.35 96.84 21.64 84.74 -2.42 89.82 7.08 3.10 14.27 17.09 58.43 0.28 3.14 0.00 6.07 0.72 76 C C C 30.37 18.59 9.83 27.32 114.56 127.96 -84.18 134.13 86.40 10.95 2.65 72.49 10.30 3.33 0.54 2.42 0.00 8.80 2.12 77 S C C 57.98 7.27 18.31 26.39 122.46 152.19 -112.40 141.91 74.56 23.05 2.38 55.55 13.37 4.88 0.64 2.04 0.00 18.70 4.82 78 F C C 82.03 14.24 12.70 26.87 123.17 -166.67 -117.04 140.06 62.61 35.13 2.26 44.72 12.94 5.02 0.52 2.01 0.01 31.53 3.25 79 R C C 134.58 5.85 14.08 21.65 123.12 -161.83 -116.45 139.37 51.68 46.75 1.57 43.08 5.28 2.06 0.65 1.14 0.00 41.50 6.29 80 R C C 148.16 5.82 10.48 18.20 116.10 -141.14 -91.72 135.18 59.60 39.67 0.73 57.57 1.23 0.72 0.35 0.35 0.00 33.79 5.98 81 K C C 147.25 3.37 12.64 17.65 111.00 -122.01 -82.17 125.97 99.85 0.15 0.01 99.85 0.05 0.02 0.00 0.00 0.00 0.08 0.01