# 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 R C C 152.90 4.93 14.87 21.52 114.58 -162.11 -95.00 128.92 99.90 0.10 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 K C C 118.50 6.69 13.04 21.33 118.39 -157.11 -104.00 134.87 92.20 6.65 1.15 90.32 0.81 1.68 0.32 0.47 0.00 5.10 1.31 2 Q C C 112.25 5.50 15.31 22.41 116.40 -143.17 -96.65 131.06 83.59 14.83 1.58 70.67 9.06 3.29 0.44 1.24 0.00 12.26 3.04 3 V C C 39.95 17.49 11.57 28.44 115.76 -153.91 -99.84 125.85 82.24 15.86 1.91 72.06 7.24 2.36 0.53 1.43 0.00 13.55 2.83 4 S C C 62.37 6.67 19.53 26.78 102.52 -146.37 -87.75 -21.65 86.65 11.47 1.87 62.62 16.74 7.06 0.33 1.74 0.00 10.29 1.22 5 D C S 75.52 8.58 21.18 29.76 112.93 27.89 -105.99 117.45 84.09 14.74 1.17 32.91 40.45 10.83 0.13 1.12 0.00 13.69 0.88 6 G C E 8.06 18.19 19.32 36.85 133.78 127.04 153.13 -175.63 53.74 45.70 0.56 35.37 14.43 3.31 0.07 0.53 0.00 45.73 0.57 7 V E E 30.72 14.85 25.92 40.94 129.30 -110.64 -129.22 142.19 6.39 93.59 0.03 5.89 0.39 0.03 0.01 0.01 0.00 93.40 0.27 8 A E E 2.21 26.17 21.82 48.25 122.99 -160.84 -115.40 133.71 1.20 98.79 0.00 1.11 0.05 0.00 0.00 0.00 0.00 98.81 0.02 9 H E E 38.04 14.92 28.73 43.83 118.52 -164.32 -115.10 127.31 0.52 99.48 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 10 I E E 3.92 26.17 21.20 47.75 121.32 -165.81 -117.25 128.34 0.58 99.42 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 11 H E E 59.42 11.37 28.24 40.09 122.26 -169.99 -118.35 132.28 1.38 98.61 0.00 1.21 0.07 0.01 0.00 0.00 0.00 98.68 0.04 12 A E E 16.70 22.78 17.49 39.28 124.41 -168.60 -117.47 135.41 13.65 86.32 0.03 11.24 1.81 0.14 0.01 0.02 0.00 86.54 0.25 13 S C C 35.57 8.37 23.08 31.68 132.64 171.34 -126.49 170.66 65.06 34.83 0.11 58.16 5.01 0.41 0.02 0.09 0.00 35.39 0.92 14 F C S 121.48 8.76 18.25 27.68 93.07 -89.95 -62.69 -33.67 98.39 0.95 0.66 2.30 54.45 41.91 0.03 0.53 0.00 0.65 0.14 15 N C S 92.48 6.75 19.48 26.67 102.19 19.20 -107.84 -4.10 98.75 0.69 0.56 2.20 53.28 43.44 0.02 0.49 0.00 0.48 0.09 16 N E E 41.51 12.09 21.22 33.64 140.70 19.97 -152.99 159.38 43.92 55.88 0.21 31.00 10.77 1.82 0.02 0.22 0.00 55.63 0.54 17 T E E 6.23 23.83 18.30 42.64 123.08 -145.47 -119.21 133.56 3.55 96.45 0.00 3.21 0.10 0.00 0.00 0.00 0.00 96.63 0.05 18 I E E 25.00 14.34 27.75 42.84 118.57 -160.43 -112.57 127.11 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 19 V E E 1.94 26.60 22.15 49.35 120.06 -166.68 -114.57 129.01 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 T E E 17.80 15.78 28.81 45.01 122.93 -167.47 -116.65 134.88 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 21 I E E 2.02 26.35 22.77 49.78 120.14 -162.53 -113.53 129.19 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 22 T E E 16.20 14.21 24.84 39.70 133.72 -176.89 -129.09 157.54 0.25 99.75 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.69 0.06 23 D C C 24.45 14.67 19.83 34.82 123.38 -122.02 -81.89 175.58 61.38 38.57 0.05 61.01 0.55 0.08 0.01 0.03 0.00 37.42 0.90 24 R C T 116.78 13.05 16.12 29.18 90.93 -92.16 -64.39 -20.53 99.32 0.16 0.52 0.24 2.82 96.38 0.01 0.43 0.00 0.10 0.03 25 Q C T 129.65 1.89 19.01 20.26 93.01 56.43 -87.92 0.43 99.27 0.07 0.66 0.22 2.82 96.34 0.02 0.54 0.00 0.04 0.02 26 G C S 30.69 12.35 13.83 26.38 96.84 -103.90 86.89 6.61 99.32 0.35 0.33 25.69 72.52 1.19 0.04 0.26 0.00 0.15 0.16 27 N C C 86.78 4.04 20.40 25.28 116.05 140.28 -81.56 138.77 98.10 1.84 0.06 95.29 2.83 0.22 0.02 0.03 0.00 0.94 0.67 28 A E E 46.52 16.22 15.33 30.96 110.56 -113.93 -73.37 127.73 2.51 97.48 0.01 2.44 0.14 0.01 0.01 0.00 0.00 95.45 1.95 29 L E E 49.59 14.06 20.18 34.32 101.02 176.01 -98.62 -26.30 2.94 97.04 0.02 1.70 1.01 0.12 0.00 0.01 0.00 97.12 0.04 30 G E E 9.69 14.36 23.50 38.54 146.83 -23.70 -170.35 166.88 1.06 98.93 0.01 0.72 0.19 0.04 0.00 0.01 0.00 99.03 0.01 31 W E E 81.11 20.61 21.25 39.71 137.36 -151.87 -146.78 149.40 0.90 99.09 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.12 0.02 32 A E E 16.16 18.76 24.73 42.67 135.28 -174.36 -140.22 150.66 1.63 98.37 0.00 1.54 0.06 0.00 0.00 0.00 0.00 98.34 0.06 33 T E E 38.21 16.68 25.21 40.77 126.45 -142.51 -110.90 147.01 10.84 89.08 0.07 9.74 0.90 0.11 0.03 0.05 0.00 88.57 0.62 34 A C C 11.77 22.73 19.05 41.12 99.45 -124.94 -77.55 -19.18 68.63 13.80 17.57 43.92 12.86 12.87 3.84 13.23 0.02 11.58 1.68 35 G C T 25.64 13.77 22.07 34.61 102.24 58.76 52.75 -37.85 61.80 4.59 33.61 19.03 16.31 28.14 7.00 24.90 0.09 2.48 2.04 36 G C G 35.25 11.80 20.19 31.15 97.41 44.07 -72.15 -16.05 56.51 2.46 41.03 15.52 14.33 28.10 7.98 31.37 0.06 1.22 1.41 37 S C T 60.47 9.55 18.65 28.35 102.10 52.71 -84.13 8.02 58.85 2.03 39.12 8.36 13.61 36.99 8.03 30.46 0.10 1.02 1.42 38 G C T 43.11 6.48 19.85 26.72 99.67 -29.43 83.91 -0.94 69.63 2.19 28.18 12.53 14.88 42.27 6.14 21.61 0.06 1.07 1.43 39 F C C 48.78 18.56 11.93 29.33 100.10 97.52 -91.52 17.07 72.52 7.50 19.98 37.03 18.80 17.45 6.13 12.72 0.07 2.98 4.82 40 R C T 153.61 5.03 15.22 22.25 110.98 121.02 -69.93 129.79 84.88 4.53 10.59 16.79 14.94 53.36 3.64 6.49 0.04 2.27 2.47 41 G C T 61.33 1.38 16.30 17.24 97.29 13.07 80.92 -1.37 89.83 1.68 8.49 12.78 21.10 56.08 1.78 6.45 0.01 0.85 0.96 42 S C C 50.63 10.19 10.93 21.88 117.01 104.92 -94.50 156.23 85.90 3.62 10.48 40.53 29.68 15.67 2.52 7.69 0.01 1.43 2.48 43 R C S 176.72 2.63 16.66 20.21 96.94 -130.86 -80.17 -13.44 81.99 3.30 14.71 21.45 36.93 24.58 2.60 11.01 0.01 1.63 1.80 44 K C C 114.01 5.58 19.39 25.94 122.73 70.91 -107.87 144.90 79.86 5.93 14.22 30.70 29.19 20.81 2.75 10.71 0.04 2.77 3.03 45 S C C 32.24 20.04 14.50 33.26 114.32 -128.27 -84.58 130.05 85.54 5.47 8.99 63.43 13.75 7.38 3.24 5.83 0.00 2.11 4.27 46 T C C 43.33 11.33 23.57 34.93 126.27 -167.65 -116.17 148.54 92.28 0.80 6.92 75.31 14.92 0.86 7.71 0.31 0.00 0.18 0.73 47 P H H 50.49 16.37 20.44 35.94 92.62 -116.84 -60.64 -34.74 11.00 0.04 88.96 1.68 1.51 7.24 88.77 0.76 0.02 0.01 0.02 48 F H H 95.43 7.17 27.33 35.29 91.64 55.03 -64.59 -40.28 3.89 0.02 96.09 0.63 0.39 2.57 95.91 0.48 0.00 0.01 0.01 49 A H H 5.18 21.43 23.34 44.53 91.47 51.16 -63.93 -42.61 0.41 0.00 99.59 0.11 0.03 0.18 99.50 0.17 0.00 0.00 0.00 50 A H H 1.54 26.98 23.01 50.03 91.29 50.58 -63.97 -42.02 0.11 0.00 99.88 0.02 0.01 0.05 99.86 0.06 0.00 0.00 0.00 51 Q H H 62.40 13.10 28.88 42.13 91.63 50.68 -63.92 -41.91 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 52 V H H 38.76 9.79 29.72 41.34 91.51 49.90 -63.68 -42.91 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 53 A H H 1.50 25.56 25.44 50.64 91.69 49.56 -64.02 -43.12 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 54 A H H 1.95 26.40 24.25 50.38 91.71 51.42 -63.45 -42.63 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 55 E H H 83.72 8.72 29.31 39.14 91.48 50.28 -63.85 -41.89 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 56 R H H 84.09 9.86 28.94 39.75 91.80 49.20 -65.08 -41.57 0.22 0.00 99.78 0.01 0.01 0.15 99.79 0.03 0.00 0.00 0.00 57 C H H 1.05 27.17 23.32 50.53 91.54 49.64 -64.48 -43.13 0.27 0.00 99.73 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 58 A H H 7.83 21.36 23.01 43.74 91.27 51.27 -62.57 -43.10 0.16 0.00 99.84 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 59 D H H 77.21 3.24 28.56 31.51 91.38 49.87 -63.80 -42.00 0.18 0.00 99.82 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 60 A H H 15.37 13.60 22.29 36.65 91.65 50.32 -63.90 -42.41 0.27 0.00 99.73 0.02 0.01 0.20 99.66 0.11 0.00 0.00 0.00 61 V H H 2.20 26.47 15.24 42.34 91.35 50.77 -63.73 -42.91 0.64 0.00 99.35 0.08 0.04 0.47 98.94 0.47 0.00 0.00 0.00 62 K H H 112.62 8.28 19.52 28.72 91.33 50.75 -63.39 -40.54 1.51 0.00 98.49 0.10 0.07 1.28 96.91 1.63 0.00 0.00 0.00 63 E H H 140.86 1.62 20.87 21.74 90.45 53.30 -65.58 -29.47 8.31 0.00 91.68 0.15 0.20 8.39 89.99 1.26 0.01 0.00 0.00 64 Y C T 76.06 13.53 14.87 28.85 94.00 49.21 -89.63 -0.47 68.58 0.03 31.39 0.43 1.25 66.87 29.92 1.50 0.00 0.01 0.03 65 G C T 45.05 3.42 23.05 26.57 97.74 -105.91 85.67 14.38 99.81 0.01 0.18 2.31 1.03 96.56 0.06 0.03 0.00 0.01 0.00 66 I C C 11.73 24.21 10.22 34.08 112.71 154.51 -80.90 126.01 92.11 7.79 0.10 92.40 0.46 0.09 0.02 0.04 0.00 6.48 0.52 67 K C C 127.49 4.07 23.44 28.39 101.70 176.71 -102.85 -19.83 86.04 13.86 0.09 70.66 13.37 0.88 0.01 0.10 0.00 14.66 0.32 68 N E E 60.72 9.71 24.73 35.12 129.17 34.02 -134.23 136.68 36.04 63.80 0.16 26.19 7.83 1.28 0.02 0.16 0.00 64.12 0.41 69 L E E 3.75 26.81 16.18 43.88 127.02 -171.34 -128.44 138.18 3.44 96.54 0.01 3.25 0.15 0.01 0.00 0.00 0.00 96.46 0.11 70 E E E 51.80 11.23 28.27 40.37 119.34 -160.83 -113.77 129.52 0.52 99.47 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 71 V E E 3.36 26.26 19.84 46.73 119.69 -162.72 -113.94 126.37 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 72 M E E 44.34 12.18 27.74 40.54 116.31 -163.16 -110.71 122.29 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 73 V E E 5.79 25.07 17.68 43.21 121.09 -168.31 -113.13 130.27 2.04 97.96 0.00 2.01 0.04 0.00 0.00 0.00 0.00 97.86 0.08 74 K E E 93.17 9.10 24.82 33.88 118.57 -168.29 -110.24 128.73 37.23 62.74 0.03 30.21 5.92 0.21 0.00 0.03 0.00 63.19 0.44 75 G C C 19.47 10.88 20.86 32.31 139.46 47.00 155.36 176.43 89.48 10.47 0.05 50.60 38.01 1.03 0.01 0.05 0.00 9.74 0.57 76 P C C 74.89 9.17 19.68 28.91 112.38 -60.70 -73.85 142.54 97.66 2.23 0.12 54.74 41.85 1.41 0.02 0.11 0.00 1.40 0.47 77 G C S 25.18 8.25 19.24 28.67 140.22 83.89 149.14 -176.15 98.68 0.78 0.54 29.08 68.54 1.07 0.30 0.15 0.00 0.20 0.66 78 P C T 97.09 3.83 20.98 25.13 107.42 -48.20 -66.01 131.76 93.43 0.22 6.36 2.09 8.67 83.41 3.15 2.39 0.00 0.10 0.20 79 G C T 18.22 15.53 17.01 32.24 96.71 28.08 80.92 0.65 93.81 0.11 6.08 7.55 5.41 81.31 4.04 1.56 0.00 0.05 0.08 80 R H H 53.94 20.02 15.98 34.94 93.03 110.28 -60.67 -42.26 7.82 0.04 92.14 3.78 1.32 2.79 90.51 1.57 0.00 0.01 0.02 81 E H H 117.40 4.68 23.52 29.08 91.65 51.65 -63.31 -40.84 1.56 0.00 98.44 0.35 0.15 0.82 98.26 0.42 0.00 0.00 0.00 82 S H H 44.28 6.49 24.17 31.03 91.81 50.06 -65.17 -41.38 0.51 0.00 99.49 0.11 0.04 0.26 99.30 0.30 0.00 0.00 0.00 83 T H H 4.62 24.52 19.47 43.63 92.34 49.33 -64.87 -42.64 0.28 0.00 99.72 0.05 0.02 0.14 99.68 0.11 0.00 0.00 0.00 84 I H H 19.15 20.98 21.46 41.43 91.70 50.19 -63.64 -42.61 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 85 R H H 133.48 2.86 26.89 29.37 91.54 50.59 -63.20 -42.39 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 86 A H H 18.66 12.61 21.40 35.01 91.48 50.59 -63.82 -42.51 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.04 0.00 0.00 0.00 87 L H H 3.05 26.35 15.69 42.53 91.69 49.80 -64.17 -42.72 0.27 0.00 99.73 0.02 0.01 0.20 99.66 0.10 0.00 0.00 0.00 88 N H H 83.60 10.00 19.36 29.68 91.35 51.57 -63.12 -39.60 1.10 0.00 98.90 0.05 0.04 0.93 98.63 0.35 0.00 0.00 0.00 89 A H H 83.28 2.05 20.19 22.12 90.05 56.30 -66.07 -24.13 11.16 0.01 88.84 0.18 0.25 11.28 87.76 0.52 0.01 0.00 0.00 90 A C T 35.05 13.77 14.57 28.99 92.73 54.93 -86.13 -0.80 86.07 0.03 13.90 0.27 1.20 84.10 13.83 0.56 0.00 0.01 0.02 91 G C T 48.23 2.95 22.39 25.33 97.81 -102.01 90.11 9.91 99.86 0.01 0.13 1.01 1.26 97.66 0.04 0.02 0.00 0.00 0.00 92 F C C 18.22 23.49 10.47 33.42 119.01 137.45 -90.92 141.18 95.50 4.49 0.01 94.39 1.14 0.06 0.00 0.00 0.00 4.25 0.15 93 R E E 138.86 3.43 25.39 28.95 112.64 -137.23 -96.38 120.26 33.66 66.31 0.03 33.23 0.63 0.06 0.01 0.02 0.00 65.35 0.71 94 I E E 27.08 23.38 11.80 34.61 112.18 -147.37 -88.13 121.67 3.51 96.49 0.01 3.71 0.05 0.00 0.00 0.00 0.00 95.94 0.28 95 T E E 73.14 5.07 21.66 27.40 100.88 174.87 -95.51 -30.07 4.85 95.14 0.01 3.45 0.97 0.04 0.00 0.00 0.00 95.50 0.03 96 N E E 72.44 6.10 23.66 30.54 137.65 2.16 -153.38 147.54 1.49 98.51 0.00 1.11 0.15 0.01 0.00 0.00 0.00 98.72 0.01 97 I E E 39.07 22.70 13.67 35.28 124.16 -166.34 -128.74 127.71 0.58 99.41 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.41 0.01 98 T E E 56.24 7.49 23.99 31.98 129.38 -176.50 -130.77 143.55 0.92 99.08 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.08 0.04 99 D E E 56.55 16.53 15.72 31.48 113.13 -135.95 -94.73 121.36 8.49 91.50 0.01 7.77 0.41 0.02 0.00 0.01 0.00 91.56 0.23 100 V C C 68.75 9.93 17.66 28.38 102.42 172.56 -102.17 10.65 80.42 19.53 0.06 59.91 19.06 0.53 0.01 0.06 0.00 19.73 0.70 101 T C C 57.14 9.16 15.58 26.00 117.70 104.78 -93.74 136.32 90.09 9.84 0.07 48.73 41.64 0.71 0.01 0.06 0.00 7.78 1.06 102 P C C 86.45 6.23 17.01 24.33 111.63 -109.18 -69.97 142.07 94.98 4.93 0.09 69.48 25.03 0.85 0.02 0.09 0.00 3.57 0.97 103 I C C 59.57 13.33 11.67 25.55 119.90 -124.07 -103.68 131.40 92.93 6.83 0.23 71.31 21.17 0.64 0.09 0.15 0.00 3.38 3.26 104 P C C 74.28 5.86 15.87 22.99 112.55 -109.35 -67.03 146.78 89.98 5.17 4.85 70.40 9.65 9.01 0.85 4.81 0.00 3.34 1.95 105 H C C 107.65 9.59 11.72 22.01 111.09 -133.84 -87.70 122.17 80.90 6.26 12.84 34.54 19.89 26.57 1.67 11.30 0.01 2.95 3.07 106 N C T 114.54 3.86 15.06 19.99 100.05 11.96 1.19 30.67 82.45 2.80 14.75 23.11 22.34 36.68 1.54 13.52 0.01 1.37 1.43 107 G C C 41.88 6.67 13.87 21.71 106.32 -66.95 86.66 0.51 87.06 3.69 9.26 33.39 28.66 24.73 1.11 8.56 0.00 1.78 1.78 108 C C C 57.98 11.42 11.55 23.53 113.37 114.32 -90.15 128.23 88.67 8.00 3.33 58.14 21.99 7.93 0.79 2.75 0.00 3.63 4.76 109 R C C 132.66 5.69 14.41 21.75 120.14 -155.66 -103.61 139.04 94.79 4.94 0.27 69.35 25.30 0.56 0.10 0.15 0.00 2.06 2.47 110 P C C 79.61 6.14 13.06 20.87 116.08 -104.86 -65.93 149.92 98.89 0.71 0.40 94.06 4.24 0.71 0.13 0.22 0.00 0.38 0.27 111 P C C 82.89 7.27 10.31 19.15 113.07 -102.94 -66.53 148.24 94.94 1.41 3.65 81.30 6.99 6.61 0.92 2.71 0.00 0.74 0.73 112 K C C 146.64 2.84 10.48 15.25 113.73 -114.92 -83.33 137.76 90.58 3.82 5.61 65.94 15.63 8.60 1.41 4.51 0.00 2.13 1.78 113 K C C 154.42 2.42 9.16 13.69 114.28 -125.93 -88.85 134.74 87.87 5.94 6.19 66.59 14.61 6.46 1.50 5.00 0.00 4.26 1.59 114 R C C 161.46 3.10 7.82 13.11 115.73 -143.95 -95.17 134.41 84.54 10.94 4.52 71.49 8.30 4.57 1.43 3.03 0.00 8.59 2.59 115 R C C 177.94 1.82 8.36 11.99 114.01 -138.36 -93.74 129.07 84.45 13.79 1.76 80.52 2.30 2.05 0.76 0.80 0.00 8.52 5.05 116 V C C 104.69 4.48 9.54 15.67 110.74 -152.45 -95.66 111.81 99.77 0.21 0.01 99.65 0.14 0.06 0.00 0.00 0.00 0.12 0.02