# 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 107.07 6.63 17.34 24.75 118.94 -141.60 -91.97 139.27 99.95 0.05 0.00 99.89 0.07 0.01 0.00 0.00 0.00 0.02 0.00 1 A C C 44.96 15.01 11.67 26.19 115.74 -108.39 -70.18 147.06 91.72 7.79 0.50 91.59 0.50 0.75 0.15 0.20 0.00 5.72 1.09 2 R C C 129.67 6.25 17.79 25.36 121.33 -145.16 -105.14 139.86 60.19 39.05 0.76 49.09 8.78 1.43 0.27 0.60 0.00 32.09 7.72 3 E C C 103.11 9.42 17.55 27.74 116.06 -122.76 -86.67 133.49 55.99 43.47 0.55 51.74 3.04 0.53 0.23 0.35 0.00 35.01 9.09 4 I C C 21.18 18.75 12.26 31.27 119.24 -160.20 -109.87 130.56 83.63 15.97 0.41 83.31 1.26 0.28 0.20 0.17 0.00 11.87 2.91 5 T C C 92.92 4.70 19.75 25.47 100.13 173.33 -104.80 -9.16 99.05 0.80 0.16 60.13 38.68 0.43 0.06 0.07 0.00 0.42 0.19 6 D C S 71.58 4.71 21.47 26.64 116.55 75.33 -105.48 131.71 96.69 2.17 1.14 37.02 59.54 0.37 1.04 0.12 0.00 0.42 1.49 7 I H H 37.05 20.21 12.89 32.61 92.41 -141.91 -60.05 -37.57 1.63 0.00 98.37 0.29 0.27 0.96 97.55 0.92 0.00 0.00 0.00 8 K H H 123.62 3.83 20.49 25.05 91.31 56.52 -62.77 -40.14 0.60 0.00 99.40 0.08 0.05 0.41 98.41 1.04 0.00 0.00 0.00 9 Q H H 77.00 6.09 20.91 27.60 91.66 49.51 -65.72 -40.01 0.18 0.00 99.82 0.03 0.02 0.11 98.77 1.07 0.00 0.00 0.00 10 F H H 4.52 25.03 15.46 40.86 91.18 51.49 -62.87 -43.82 0.11 0.00 99.89 0.01 0.01 0.07 99.67 0.24 0.00 0.00 0.00 11 L H H 34.39 16.27 20.43 36.37 91.16 50.53 -62.84 -42.01 0.16 0.00 99.84 0.01 0.00 0.11 99.49 0.38 0.00 0.00 0.00 12 E H H 106.10 2.63 25.13 26.70 91.69 50.77 -64.35 -41.34 0.66 0.00 99.34 0.03 0.02 0.55 98.84 0.56 0.00 0.00 0.00 13 L H H 23.42 15.38 19.33 35.29 91.53 50.40 -65.71 -39.31 3.47 0.00 96.53 0.11 0.15 3.19 95.80 0.75 0.01 0.00 0.00 14 T H H 6.90 23.70 14.60 38.35 91.70 56.29 -72.88 -20.44 32.75 0.18 67.07 3.94 2.48 26.10 65.67 1.59 0.03 0.06 0.13 15 R C T 139.75 6.45 20.63 27.82 93.04 66.39 -80.68 -9.90 80.50 0.55 18.95 18.78 7.96 52.97 16.84 2.86 0.00 0.22 0.37 16 R C S 89.19 10.02 12.61 24.17 114.28 105.83 -75.49 138.23 92.28 2.99 4.72 25.15 61.63 4.70 3.57 1.11 0.00 0.76 3.07 17 A C T 91.74 1.85 15.95 18.62 92.62 -127.47 -63.71 -28.07 97.16 0.15 2.70 0.88 6.52 90.29 0.50 1.63 0.00 0.06 0.12 18 D C T 86.28 6.17 16.56 23.82 94.91 54.82 -86.71 -3.16 98.76 0.13 1.11 2.32 5.17 91.34 0.15 0.90 0.00 0.07 0.05 19 V C C 17.17 21.94 9.08 29.97 112.61 101.29 -84.82 124.49 71.12 27.65 1.23 67.20 3.07 0.66 0.37 0.76 0.00 25.47 2.46 20 K C C 131.39 3.10 22.04 25.57 100.33 177.14 -97.08 -26.75 69.42 29.67 0.91 52.59 14.56 1.48 0.23 0.67 0.00 29.53 0.95 21 T E E 56.69 6.92 24.08 31.80 141.16 4.90 -155.90 154.56 18.64 80.31 1.05 14.72 2.74 1.45 0.26 0.65 0.00 79.66 0.51 22 A E E 9.01 24.33 13.87 38.08 132.10 -170.48 -139.14 144.33 11.42 88.26 0.31 10.23 0.94 0.21 0.13 0.13 0.00 88.11 0.25 23 T E E 53.99 8.08 26.43 35.09 126.56 -168.98 -125.74 139.06 4.52 95.26 0.22 3.99 0.41 0.12 0.11 0.07 0.00 95.11 0.20 24 V E E 20.08 22.23 15.95 37.98 118.83 -151.57 -107.80 129.16 6.81 92.80 0.39 5.89 0.65 0.21 0.21 0.14 0.00 92.69 0.19 25 K E E 82.26 8.97 21.97 31.27 121.10 -157.54 -107.79 134.24 12.86 86.41 0.73 11.76 0.88 0.25 0.44 0.27 0.00 85.90 0.50 26 I E E 64.45 13.93 15.35 29.46 119.12 -148.67 -102.97 133.04 25.22 73.38 1.41 22.58 2.16 0.59 0.94 0.57 0.00 71.12 2.04 27 N C C 61.87 10.05 14.01 25.26 116.32 -151.52 -101.55 128.44 61.74 35.50 2.76 55.77 3.76 0.98 1.74 1.03 0.00 34.98 1.73 28 K C C 125.83 5.40 13.70 20.57 105.62 -157.58 -86.09 26.96 49.79 21.95 28.26 29.57 12.16 9.56 15.05 12.35 0.18 19.04 2.09 29 K C C 127.29 4.10 13.05 18.55 113.64 79.36 -91.66 127.89 42.95 29.30 27.75 24.57 10.77 9.91 15.14 12.02 0.39 23.93 3.28 30 L C E 88.80 7.05 10.50 18.87 113.04 -140.72 -96.10 126.47 37.71 36.15 26.15 23.16 8.47 7.21 16.01 10.23 0.74 25.22 8.96 31 N C C 74.31 7.29 8.86 17.61 116.95 -149.11 -99.47 139.05 74.31 15.51 10.18 57.23 10.64 5.41 7.19 3.60 0.03 11.82 4.09 32 K C T 164.43 1.47 9.89 12.42 99.66 -141.37 -74.60 -12.24 82.59 6.91 10.50 26.40 16.81 40.53 4.33 5.36 0.04 4.60 1.94 33 A C T 93.30 1.01 9.55 10.88 98.76 48.68 -82.33 4.22 93.51 0.68 5.81 11.19 16.52 66.07 1.68 3.82 0.00 0.40 0.32 34 G C T 59.86 1.54 10.10 12.57 99.17 -94.39 83.05 5.30 95.41 1.34 3.25 23.43 31.81 40.16 0.45 2.93 0.00 0.82 0.42 35 K C C 123.33 2.77 10.14 14.83 121.15 121.44 -95.82 145.71 90.54 8.82 0.64 56.50 31.58 2.99 0.17 0.54 0.00 6.09 2.12 36 P C C 93.83 3.63 11.69 16.96 113.11 -103.51 -67.20 144.89 76.69 21.28 2.03 58.67 11.56 5.73 0.57 1.75 0.01 15.92 5.78 37 F C C 92.09 10.11 11.01 22.11 121.05 -153.70 -107.80 142.20 69.33 28.20 2.48 47.85 15.11 6.38 0.57 2.21 0.00 24.19 3.69 38 R C C 127.58 7.21 16.11 24.46 116.16 -134.45 -96.47 131.36 60.14 37.33 2.53 43.35 12.15 4.93 0.51 2.21 0.00 34.21 2.64 39 Q C C 69.97 11.84 17.35 29.56 119.00 -152.93 -103.01 130.03 56.69 42.10 1.22 42.48 11.24 2.53 0.23 1.00 0.00 41.28 1.24 40 T E E 18.86 17.49 16.60 34.54 121.32 -162.24 -113.78 135.06 35.96 63.91 0.14 31.05 3.44 0.37 0.02 0.11 0.00 64.54 0.46 41 K E E 63.21 12.03 22.63 35.00 128.89 -163.34 -126.63 142.98 5.68 94.31 0.01 4.96 0.48 0.03 0.00 0.01 0.00 94.39 0.13 42 F E E 13.16 22.24 18.05 40.44 128.22 -169.34 -128.58 143.31 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 43 K E E 64.59 10.73 25.26 36.51 116.91 -142.31 -105.73 130.81 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 44 V E E 5.88 23.88 17.35 41.89 120.80 -167.08 -114.95 129.65 0.22 99.78 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 45 R E E 94.85 8.52 22.89 31.92 117.50 -158.32 -106.40 125.86 2.19 97.81 0.00 1.93 0.15 0.02 0.00 0.00 0.00 97.80 0.11 46 G C C 13.11 15.71 13.13 29.13 129.66 175.20 -120.58 176.04 68.59 31.38 0.03 64.69 2.15 0.14 0.00 0.03 0.00 32.53 0.45 47 S C S 84.09 2.94 16.86 20.37 94.15 -85.59 -64.30 -35.60 99.59 0.26 0.15 1.25 68.88 29.55 0.01 0.12 0.00 0.15 0.04 48 S C S 81.61 3.10 16.54 20.17 101.32 15.22 -104.27 -8.40 99.56 0.31 0.13 1.06 68.24 30.34 0.00 0.11 0.00 0.20 0.04 49 S E E 36.91 9.75 16.44 27.54 138.01 27.42 -148.07 158.09 32.23 67.73 0.04 26.31 4.76 0.23 0.00 0.03 0.00 68.20 0.48 50 L E E 54.03 14.33 17.57 32.26 121.20 -135.82 -113.92 132.73 1.70 98.30 0.00 1.59 0.05 0.00 0.00 0.00 0.00 98.30 0.06 51 Y E E 33.28 16.66 20.37 37.39 127.69 -170.74 -123.63 143.70 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 52 T E E 29.66 15.50 23.07 38.59 122.54 -155.16 -114.77 133.95 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 53 L E E 8.33 22.92 21.24 44.18 120.19 -159.74 -111.21 129.97 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 54 V E E 33.69 12.36 25.89 39.02 117.60 -156.27 -106.63 125.82 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.02 55 I E E 8.31 22.77 14.95 38.31 119.40 -165.83 -112.15 129.52 17.55 82.44 0.01 17.56 0.26 0.01 0.00 0.00 0.00 81.66 0.50 56 N C S 101.32 5.18 21.75 27.77 97.88 -172.06 -95.27 -12.23 97.88 2.08 0.04 18.47 78.88 0.64 0.01 0.03 0.00 1.89 0.08 57 D C C 72.57 5.25 19.76 25.71 111.68 76.34 -104.20 112.88 98.59 0.64 0.77 64.40 32.93 1.34 0.57 0.19 0.00 0.24 0.34 58 A H H 49.80 13.36 13.42 27.19 93.32 -155.14 -62.18 -35.07 4.55 0.01 95.44 0.65 0.70 3.15 93.01 2.46 0.01 0.00 0.01 59 G H H 46.50 1.60 21.32 21.16 91.80 55.09 -62.96 -41.76 3.23 0.01 96.77 0.25 0.32 2.62 93.89 2.90 0.02 0.00 0.00 60 K H H 78.32 7.97 19.03 27.87 91.93 47.77 -66.88 -38.20 1.78 0.00 98.21 0.27 0.20 1.23 95.37 2.92 0.01 0.00 0.00 61 A H H 3.68 23.93 12.00 36.07 91.01 53.08 -62.81 -42.76 1.08 0.00 98.92 0.26 0.12 0.64 97.97 1.01 0.00 0.00 0.00 62 K H H 112.24 5.15 21.83 27.63 91.32 51.33 -62.99 -40.83 0.93 0.00 99.07 0.08 0.04 0.69 97.81 1.38 0.00 0.00 0.00 63 K H H 116.26 2.13 23.22 23.85 91.64 50.47 -64.29 -41.94 0.81 0.00 99.19 0.06 0.03 0.61 96.64 2.66 0.00 0.00 0.00 64 L H H 12.59 19.93 16.38 36.47 91.84 49.55 -64.32 -42.33 0.62 0.00 99.37 0.07 0.03 0.42 96.41 3.06 0.00 0.00 0.00 65 I H H 43.77 18.31 16.35 33.88 91.27 52.43 -62.70 -39.10 1.60 0.01 98.39 0.16 0.09 1.23 93.93 4.60 0.00 0.00 0.00 66 Q H H 136.93 1.46 20.95 21.47 90.84 55.30 -67.73 -25.50 24.98 0.01 75.01 0.28 0.41 25.91 69.25 4.12 0.01 0.00 0.01 67 S C T 65.25 5.67 18.31 24.76 93.85 54.30 -87.73 -7.48 59.60 0.03 40.37 0.82 1.59 57.58 36.94 3.03 0.00 0.01 0.03 68 L C S 17.36 23.24 8.35 30.20 118.76 102.35 -77.98 143.83 99.73 0.18 0.09 9.40 90.22 0.17 0.05 0.01 0.00 0.03 0.13 69 P C C 46.56 7.45 16.23 25.67 114.34 -103.71 -63.19 147.56 99.92 0.06 0.02 98.80 0.97 0.16 0.01 0.01 0.00 0.02 0.03 70 P C T 106.65 3.69 13.91 19.50 91.73 -108.39 -61.37 -24.97 99.47 0.06 0.48 0.93 4.51 94.03 0.03 0.45 0.00 0.03 0.03 71 T C T 101.73 2.45 16.70 19.66 93.43 56.48 -84.80 -0.97 99.28 0.16 0.56 1.22 4.09 93.93 0.03 0.60 0.00 0.11 0.02 72 L C C 28.27 20.04 8.68 27.54 117.76 107.93 -82.69 136.94 83.49 15.85 0.66 63.30 18.79 1.24 0.06 0.74 0.00 14.96 0.90 73 K E E 136.04 2.35 22.68 24.65 113.95 -141.56 -97.56 125.65 31.95 67.76 0.29 30.66 0.91 0.24 0.05 0.21 0.00 67.22 0.71 74 V E E 39.45 21.22 10.13 29.98 121.95 -163.02 -112.58 133.21 16.61 83.31 0.08 16.08 0.49 0.07 0.02 0.04 0.00 82.81 0.48 75 N E E 88.00 4.11 19.47 24.43 124.39 -172.28 -120.65 143.26 11.11 88.83 0.06 10.50 0.45 0.06 0.02 0.03 0.00 88.57 0.36 76 R E E 142.48 7.54 13.59 22.77 114.54 -123.73 -87.48 128.95 18.84 81.11 0.05 18.57 0.33 0.06 0.02 0.03 0.00 79.94 1.06 77 L C C 76.15 10.93 13.28 24.67 110.25 -157.88 -94.25 106.84 99.20 0.79 0.00 99.31 0.05 0.01 0.00 0.00 0.00 0.62 0.01