# 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 I C C 45.68 18.16 14.48 31.79 115.69 -160.27 -96.24 127.67 99.35 0.59 0.07 99.19 0.22 0.11 0.02 0.01 0.00 0.38 0.06 1 E C C 125.52 4.36 19.85 24.87 102.78 -166.77 -86.53 -20.71 91.69 7.10 1.21 74.68 7.21 9.26 0.24 0.96 0.00 6.94 0.70 2 S C C 51.72 9.07 19.22 28.60 134.28 -0.40 -143.71 153.80 76.73 22.02 1.25 42.61 21.63 12.00 0.12 1.31 0.00 21.56 0.76 3 G E E 10.53 15.14 19.93 35.38 141.71 127.34 146.74 -174.04 39.04 60.60 0.36 30.32 7.32 1.17 0.05 0.35 0.00 60.26 0.54 4 I E E 40.53 13.62 25.52 39.49 126.50 -93.20 -122.15 140.01 3.42 96.56 0.02 3.18 0.19 0.02 0.00 0.00 0.00 96.43 0.18 5 A E E 2.39 26.06 20.63 47.01 123.09 -163.38 -115.21 135.38 1.00 98.99 0.00 0.93 0.04 0.00 0.00 0.00 0.00 99.01 0.02 6 H E E 36.62 14.37 28.27 42.99 118.78 -161.51 -112.46 127.98 0.50 99.49 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.52 0.01 7 I E E 4.61 25.90 20.68 46.93 120.36 -165.09 -115.47 127.94 0.56 99.44 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.01 8 R E E 76.65 10.82 27.39 38.52 123.83 -172.10 -121.02 132.96 1.54 98.46 0.00 1.35 0.07 0.01 0.00 0.00 0.00 98.51 0.05 9 S E E 24.56 20.91 16.81 36.35 127.05 -167.46 -119.81 141.67 16.20 83.77 0.03 13.77 1.62 0.12 0.00 0.02 0.00 84.25 0.22 10 T C C 50.49 7.70 21.58 29.58 129.29 -175.39 -124.26 171.42 67.75 32.12 0.14 58.02 7.52 0.63 0.02 0.12 0.00 32.79 0.90 11 F C S 129.20 7.21 17.66 25.70 95.06 -86.84 -61.75 -37.99 97.89 1.33 0.78 4.25 55.94 37.99 0.04 0.65 0.00 0.94 0.20 12 N C S 93.27 7.13 18.23 25.91 101.38 16.07 -105.19 -1.96 98.53 0.79 0.68 3.69 54.52 40.45 0.03 0.62 0.00 0.57 0.12 13 N E E 43.63 11.75 20.28 32.54 139.44 33.21 -144.48 157.40 49.09 50.58 0.33 31.14 14.56 3.26 0.03 0.35 0.00 50.07 0.59 14 T E E 6.65 23.43 17.93 41.86 122.40 -143.67 -117.14 132.71 5.80 94.20 0.00 5.25 0.18 0.01 0.00 0.00 0.00 94.48 0.08 15 I E E 26.56 13.64 27.39 41.91 118.92 -161.62 -112.97 127.70 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 16 V E E 1.94 26.51 21.76 48.96 120.16 -165.80 -114.29 129.30 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 17 T E E 17.87 15.48 28.62 44.60 123.79 -168.31 -117.90 136.03 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 18 I E E 2.21 26.19 22.52 49.32 120.36 -163.15 -114.54 129.78 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 19 T E E 17.68 14.14 24.86 39.54 132.41 -176.82 -126.57 155.10 0.30 99.70 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.65 0.06 20 D C C 22.95 14.97 20.06 35.30 124.12 -123.85 -81.88 174.70 69.71 30.25 0.03 69.67 0.50 0.06 0.00 0.02 0.00 29.06 0.69 21 T C T 63.04 14.27 16.61 30.87 90.92 -92.37 -65.36 -19.41 99.37 0.17 0.46 0.28 3.11 96.07 0.01 0.40 0.00 0.10 0.02 22 H C T 132.95 2.65 19.29 21.90 93.50 56.49 -89.61 1.33 99.39 0.08 0.53 0.26 3.15 96.05 0.01 0.46 0.00 0.04 0.02 23 G C S 28.86 12.81 14.01 27.02 97.35 -103.97 87.08 6.33 99.24 0.44 0.32 26.00 72.07 1.24 0.04 0.26 0.00 0.20 0.19 24 N C C 89.01 3.70 20.61 25.05 116.13 142.38 -81.78 138.56 97.94 1.98 0.08 95.10 2.83 0.26 0.02 0.04 0.00 1.00 0.75 25 A E E 46.65 16.08 14.68 30.25 110.26 -114.57 -73.06 126.69 2.44 97.55 0.01 2.36 0.14 0.01 0.01 0.00 0.00 96.12 1.35 26 I E E 57.18 12.34 19.40 32.29 101.88 174.20 -100.66 -30.30 1.88 98.12 0.01 1.21 0.49 0.03 0.00 0.00 0.00 98.25 0.02 27 S E E 23.36 13.32 22.22 36.29 143.29 -1.44 -158.68 154.41 0.54 99.46 0.00 0.41 0.05 0.01 0.00 0.00 0.00 99.53 0.01 28 W E E 91.07 20.03 19.39 37.44 134.10 -169.39 -143.56 143.75 0.57 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 29 S E E 21.73 15.50 24.43 39.79 138.70 168.77 -145.69 154.75 2.01 97.98 0.00 1.82 0.08 0.00 0.00 0.00 0.00 98.04 0.05 30 S E E 29.70 16.20 24.52 39.81 126.39 -135.84 -111.30 148.58 12.18 87.74 0.08 10.85 1.13 0.12 0.02 0.06 0.00 87.22 0.60 31 A C G 8.93 23.85 18.43 42.04 94.79 -133.87 -72.08 -25.34 49.45 5.73 44.82 28.18 8.95 13.96 13.31 30.11 0.04 4.46 1.00 32 G H G 24.97 13.90 21.46 34.69 92.75 69.97 -60.97 -31.89 33.87 1.23 64.90 8.03 6.26 19.54 17.23 47.73 0.03 0.72 0.45 33 A H G 62.08 7.74 22.95 30.78 92.16 57.93 -74.53 -18.67 31.07 1.02 67.92 6.70 5.67 18.39 18.62 49.61 0.04 0.58 0.40 34 L H G 46.93 16.40 17.07 32.83 97.22 61.85 -85.06 -6.49 45.76 2.52 51.73 9.32 11.11 25.47 17.06 34.10 0.24 1.29 1.42 35 G C T 31.82 8.77 20.63 29.67 112.92 -100.21 95.07 18.85 80.11 4.34 15.55 29.72 18.89 32.45 5.81 8.68 0.04 1.94 2.47 36 F C C 65.71 15.38 12.84 27.94 113.68 -35.55 -90.61 129.43 81.72 11.73 6.55 53.54 18.93 8.35 3.04 3.38 0.03 4.50 8.24 37 R C T 168.84 3.38 15.05 20.12 109.99 -111.90 -67.76 130.65 88.74 5.24 6.02 14.60 16.62 57.55 1.74 4.06 0.02 2.96 2.45 38 G C T 64.70 0.90 14.96 14.96 96.94 11.20 80.20 -0.63 93.02 1.38 5.59 10.80 21.49 60.70 1.00 4.55 0.00 0.72 0.75 39 S C C 50.54 9.22 9.90 20.11 122.06 107.59 -104.47 156.76 87.70 3.21 9.09 37.95 33.52 16.07 1.94 7.02 0.00 1.24 2.26 40 R C S 181.05 2.23 15.59 18.75 96.78 -131.17 -79.81 -8.76 84.74 3.44 11.83 23.25 39.92 22.14 2.19 8.89 0.01 1.68 1.93 41 K C S 116.78 5.18 18.57 24.83 121.05 79.52 -99.10 143.27 81.52 6.43 12.04 31.74 32.40 17.92 2.57 8.84 0.03 2.91 3.59 42 S C C 32.21 19.63 13.88 32.28 113.42 -120.34 -79.44 131.49 87.07 5.30 7.63 66.26 12.82 6.99 2.87 4.72 0.00 2.00 4.33 43 T C C 45.20 10.45 22.86 33.52 124.33 -168.30 -111.98 151.41 91.98 0.76 7.25 76.35 13.61 0.72 8.20 0.27 0.00 0.16 0.68 44 P H H 56.33 15.25 19.80 34.30 92.68 -111.87 -60.36 -35.33 8.27 0.04 91.69 1.30 1.16 5.36 91.55 0.58 0.01 0.01 0.02 45 F H H 101.15 6.27 26.62 33.45 91.68 53.81 -64.52 -40.49 2.84 0.01 97.15 0.44 0.26 1.84 97.11 0.34 0.00 0.00 0.00 46 A H H 6.51 20.25 22.44 42.62 91.43 50.87 -64.05 -42.66 0.37 0.00 99.63 0.10 0.03 0.16 99.56 0.15 0.00 0.00 0.00 47 A H H 2.26 26.14 22.12 48.12 91.44 50.67 -63.81 -42.28 0.10 0.00 99.90 0.02 0.00 0.05 99.87 0.06 0.00 0.00 0.00 48 Q H H 65.14 12.74 28.45 41.26 91.63 50.38 -64.19 -41.95 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 49 M H H 59.19 9.18 29.86 40.68 91.53 49.94 -64.26 -42.13 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 50 A H H 1.78 25.58 25.32 50.47 91.49 49.84 -63.84 -43.00 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 51 A H H 2.55 26.00 25.05 50.58 91.68 50.74 -63.45 -42.81 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 52 E H H 82.71 8.60 29.92 39.90 91.32 50.19 -63.88 -42.25 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 53 T H H 36.33 11.17 29.05 41.46 91.74 49.20 -64.58 -42.11 0.22 0.00 99.78 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 54 A H H 0.91 27.40 24.46 51.81 91.68 50.34 -63.89 -43.16 0.30 0.00 99.70 0.03 0.02 0.20 99.70 0.05 0.00 0.00 0.00 55 A H H 7.75 22.23 24.40 45.72 91.63 50.73 -63.13 -42.98 0.30 0.00 99.70 0.03 0.01 0.19 99.71 0.05 0.00 0.00 0.00 56 K H H 107.33 3.78 29.28 33.57 91.39 50.14 -63.56 -41.74 0.28 0.00 99.72 0.02 0.01 0.19 99.71 0.07 0.00 0.00 0.00 57 G H H 9.00 13.93 23.34 37.97 91.56 50.30 -63.83 -42.34 0.41 0.00 99.59 0.04 0.02 0.29 99.53 0.12 0.00 0.00 0.00 58 S H H 2.21 25.85 16.83 43.04 91.79 50.79 -63.86 -42.72 0.69 0.00 99.31 0.08 0.04 0.48 99.03 0.36 0.00 0.00 0.00 59 I H H 76.59 11.84 20.36 31.90 91.77 49.48 -64.40 -40.66 1.13 0.00 98.87 0.09 0.06 0.89 98.16 0.80 0.00 0.00 0.00 60 E H H 139.28 1.86 22.03 23.35 90.71 52.78 -66.15 -29.50 6.44 0.00 93.56 0.13 0.18 6.28 92.77 0.64 0.00 0.00 0.00 61 H C T 74.54 12.54 15.65 28.63 93.71 50.32 -87.91 -0.13 76.67 0.02 23.31 0.37 1.04 74.94 22.85 0.78 0.00 0.00 0.02 62 G C T 44.81 4.03 23.06 27.40 98.49 -103.75 88.36 12.73 99.77 0.01 0.23 1.77 0.90 97.20 0.09 0.03 0.00 0.00 0.00 63 L C C 14.45 23.80 10.74 34.06 114.01 158.72 -75.60 132.62 94.54 5.37 0.09 94.67 0.46 0.09 0.02 0.03 0.00 4.35 0.38 64 K C C 124.00 4.87 23.69 29.59 101.01 176.41 -104.11 -17.26 90.55 9.42 0.04 69.67 19.76 0.44 0.00 0.05 0.00 9.85 0.23 65 T E E 42.95 10.61 24.66 36.08 133.80 35.09 -139.09 144.48 22.79 77.12 0.09 18.01 3.96 0.38 0.01 0.08 0.00 77.21 0.34 66 L E E 3.70 26.75 16.84 44.51 126.63 -168.20 -128.56 136.41 1.61 98.38 0.00 1.53 0.06 0.00 0.00 0.00 0.00 98.33 0.07 67 E E E 60.26 10.48 28.17 39.52 118.40 -157.69 -111.28 127.95 0.43 99.57 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.60 0.01 68 V E E 3.24 26.36 18.81 45.91 120.90 -165.39 -115.54 129.02 0.34 99.66 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.00 69 T E E 35.71 10.83 27.82 39.61 118.09 -164.22 -113.57 124.73 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 70 V E E 6.12 25.09 16.99 42.57 121.34 -168.69 -115.75 130.27 3.14 96.86 0.00 3.11 0.07 0.00 0.00 0.00 0.00 96.67 0.14 71 K E E 96.64 8.06 24.66 32.92 117.66 -167.47 -111.11 128.67 38.10 61.86 0.04 30.51 6.45 0.30 0.01 0.04 0.00 62.20 0.49 72 G C C 21.04 10.09 20.44 31.29 140.44 58.89 147.69 -176.25 86.40 13.51 0.09 44.63 40.66 1.39 0.01 0.09 0.00 12.55 0.68 73 P C C 79.70 7.42 19.24 27.14 114.73 -54.95 -74.02 146.43 96.05 3.56 0.39 54.10 38.58 3.70 0.09 0.33 0.00 2.49 0.72 74 G C S 31.51 6.98 18.74 26.80 135.97 75.30 134.66 -172.28 91.75 1.44 6.81 25.14 59.54 7.29 4.50 1.85 0.00 0.45 1.24 75 S C T 83.12 3.41 20.62 24.41 99.03 -44.12 -68.35 -13.05 73.19 0.36 26.45 3.63 13.42 56.05 19.87 6.43 0.05 0.15 0.39 76 G C T 15.96 16.92 16.73 33.08 95.12 42.48 -72.23 -4.28 70.48 0.23 29.29 10.14 6.87 52.49 25.54 4.67 0.01 0.09 0.20 77 R H H 51.48 20.56 16.84 36.19 93.04 97.72 -61.54 -42.10 5.43 0.03 94.54 2.44 0.83 2.07 93.14 1.50 0.00 0.01 0.01 78 E H H 111.97 4.99 24.98 30.73 91.54 50.93 -63.60 -41.27 1.11 0.00 98.89 0.28 0.11 0.56 98.68 0.38 0.00 0.00 0.00 79 A H H 35.50 7.35 24.71 32.88 91.68 50.18 -64.51 -41.82 0.37 0.00 99.62 0.08 0.03 0.19 99.50 0.21 0.00 0.00 0.00 80 A H H 2.44 25.32 19.78 45.07 91.89 50.22 -64.39 -42.80 0.31 0.00 99.69 0.06 0.02 0.15 99.68 0.09 0.00 0.00 0.00 81 I H H 20.68 20.74 22.50 42.11 91.64 50.02 -63.54 -42.56 0.18 0.00 99.82 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 82 R H H 131.89 2.92 27.28 29.89 91.47 50.57 -63.34 -42.35 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 83 A H H 19.29 12.91 21.55 35.34 91.71 50.41 -64.06 -42.31 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 84 L H H 3.25 26.18 15.52 42.16 91.63 50.05 -64.36 -42.40 0.17 0.00 99.83 0.01 0.01 0.12 99.79 0.07 0.00 0.00 0.00 85 Q H H 99.60 8.71 19.51 28.97 91.32 51.06 -62.64 -40.19 0.52 0.00 99.48 0.02 0.02 0.44 99.31 0.21 0.00 0.00 0.00 86 A H H 82.88 2.04 19.72 21.68 90.00 55.61 -65.32 -25.88 7.56 0.00 92.44 0.10 0.15 7.68 91.74 0.33 0.00 0.00 0.00 87 A C T 37.05 13.27 14.20 28.22 92.80 54.21 -87.11 -1.03 84.69 0.02 15.29 0.22 0.85 83.07 15.41 0.43 0.00 0.00 0.01 88 G C T 52.94 2.09 21.88 23.45 96.15 -103.36 86.88 11.53 99.88 0.01 0.11 0.83 0.90 98.21 0.03 0.01 0.00 0.00 0.00 89 L C C 15.51 23.35 10.05 32.80 118.62 140.50 -91.91 138.47 95.36 4.63 0.01 94.51 0.87 0.04 0.00 0.00 0.00 4.44 0.13 90 E E E 118.74 3.19 25.22 28.36 112.05 -133.52 -90.97 123.44 34.88 65.08 0.04 34.26 0.63 0.06 0.01 0.02 0.00 64.35 0.67 91 V E E 23.49 23.72 11.54 34.55 113.53 -152.09 -91.69 122.53 4.90 95.08 0.01 5.14 0.08 0.01 0.00 0.00 0.00 94.50 0.27 92 T E E 71.53 5.53 22.38 28.50 100.14 176.09 -96.39 -30.24 6.33 93.66 0.01 4.37 1.48 0.05 0.00 0.01 0.00 94.05 0.03 93 A E E 38.16 8.48 23.65 33.00 141.19 0.01 -156.05 151.71 1.13 98.87 0.00 0.87 0.10 0.01 0.00 0.00 0.00 99.01 0.01 94 I E E 36.25 22.75 14.72 36.48 123.45 -163.12 -127.83 127.43 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.01 95 R E E 102.29 7.28 24.37 32.25 127.74 -176.14 -129.88 139.92 0.63 99.37 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.36 0.03 96 D E E 58.05 16.16 16.09 31.56 112.77 -131.74 -87.99 123.98 7.19 92.80 0.01 6.66 0.29 0.02 0.00 0.00 0.00 92.84 0.19 97 V C C 61.84 11.15 17.14 28.98 105.44 -176.40 -103.22 9.86 82.18 17.78 0.04 64.39 16.42 0.39 0.01 0.05 0.00 18.14 0.61 98 T C C 57.95 9.12 15.78 26.15 117.52 119.28 -95.69 135.79 90.85 9.10 0.05 48.52 42.73 0.53 0.01 0.05 0.00 7.31 0.87 99 P C C 85.79 6.52 17.06 24.66 110.70 -110.63 -70.68 141.06 94.76 5.18 0.06 71.79 22.58 0.67 0.01 0.06 0.00 4.03 0.85 100 V C C 54.69 12.92 11.99 25.55 118.21 -124.60 -103.14 131.73 92.48 7.37 0.15 72.66 19.67 0.47 0.05 0.10 0.00 4.04 3.01 101 P C C 74.65 5.89 15.72 22.97 113.64 -110.40 -66.14 147.44 91.86 6.11 2.02 80.08 7.02 4.42 0.39 1.88 0.00 4.09 2.13 102 H C C 106.98 9.90 11.49 22.09 113.05 -137.76 -94.17 126.73 84.87 6.35 8.77 41.04 21.10 22.58 1.17 7.94 0.00 2.98 3.17 103 N C T 117.57 3.54 15.28 19.64 99.98 7.57 37.85 35.20 86.59 3.06 10.35 25.67 25.53 35.01 1.09 9.75 0.00 1.51 1.45 104 G C C 41.69 6.54 13.57 21.30 110.12 -69.94 88.92 1.64 89.18 3.73 7.10 36.15 30.09 22.49 0.82 6.88 0.00 1.86 1.72 105 C C C 61.48 10.76 11.39 22.84 113.50 116.03 -89.48 128.83 90.50 6.94 2.56 61.25 21.67 6.97 0.58 2.20 0.00 3.16 4.16 106 R C C 138.54 5.03 14.25 20.97 119.65 -148.72 -103.28 137.89 95.85 3.95 0.20 72.32 23.39 0.47 0.07 0.12 0.00 1.62 2.01 107 P C C 78.17 6.54 12.41 20.64 116.09 -105.58 -66.40 150.35 98.96 0.59 0.45 94.32 3.97 0.78 0.14 0.26 0.00 0.31 0.23 108 P C C 85.72 6.31 10.45 18.49 113.08 -102.67 -66.45 148.39 94.54 1.17 4.30 81.06 6.58 6.84 1.01 3.29 0.00 0.61 0.60 109 K C C 150.43 2.50 10.30 14.68 113.38 -113.06 -82.79 137.25 90.04 3.55 6.41 65.49 15.09 8.94 1.44 5.44 0.00 2.07 1.52 110 R C C 169.70 2.84 8.54 13.52 114.95 -134.65 -91.24 134.55 87.05 6.22 6.73 67.93 12.82 5.96 1.60 5.55 0.00 4.47 1.67 111 R C C 164.74 2.64 7.90 12.65 115.36 -142.49 -94.05 134.20 84.82 10.74 4.44 73.43 7.13 4.11 1.43 2.95 0.00 8.31 2.65 112 R C C 178.52 1.85 8.12 11.80 113.39 -137.29 -91.01 126.99 86.50 11.77 1.73 82.17 2.53 2.21 0.75 0.78 0.00 7.28 4.29 113 V C C 105.66 4.17 9.62 15.44 110.01 -152.49 -93.67 106.93 99.81 0.18 0.01 99.57 0.21 0.09 0.00 0.00 0.00 0.10 0.02