# 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 152.95 4.95 15.03 21.66 114.74 -162.00 -94.64 129.19 99.90 0.09 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 K C C 118.09 6.80 13.10 21.47 118.64 -156.33 -102.92 134.52 92.38 6.49 1.13 90.48 0.78 1.71 0.30 0.47 0.00 5.03 1.23 2 Q C C 112.60 5.46 15.58 22.59 115.93 -144.12 -96.42 130.33 83.79 14.67 1.54 70.54 9.16 3.51 0.40 1.26 0.00 12.40 2.72 3 V C C 37.01 18.05 11.42 28.76 116.08 -152.52 -100.79 124.53 81.14 17.04 1.82 72.25 6.20 2.12 0.49 1.36 0.00 14.64 2.94 4 S C C 62.89 6.25 20.08 26.86 100.70 -153.27 -89.34 -25.81 85.26 12.97 1.77 59.56 18.09 7.52 0.30 1.67 0.00 11.57 1.27 5 D C S 74.97 8.27 21.43 29.78 121.19 21.84 -117.99 136.28 82.15 16.70 1.15 31.67 39.70 10.86 0.12 1.11 0.00 15.65 0.89 6 G C E 8.39 17.95 19.49 36.77 135.22 125.38 145.97 -175.00 52.30 47.22 0.49 35.02 14.14 2.63 0.06 0.46 0.00 47.12 0.57 7 V E E 31.69 14.50 26.04 40.80 128.69 -102.53 -128.06 141.61 5.96 94.01 0.02 5.51 0.35 0.03 0.01 0.01 0.00 93.85 0.25 8 A E E 2.03 26.32 21.69 48.33 123.18 -161.91 -116.73 133.82 1.08 98.92 0.00 1.00 0.04 0.00 0.00 0.00 0.00 98.93 0.02 9 H E E 36.48 15.01 28.84 44.08 118.44 -163.91 -114.86 127.25 0.48 99.52 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.01 10 I E E 3.36 26.39 21.58 48.38 120.97 -165.86 -117.24 127.97 0.47 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 11 H E E 56.11 11.85 28.51 40.88 121.99 -170.14 -118.94 131.53 1.09 98.91 0.00 0.95 0.05 0.00 0.00 0.00 0.00 98.97 0.03 12 A E E 13.85 23.25 17.98 40.37 124.81 -169.77 -118.55 135.84 12.15 87.82 0.03 10.01 1.57 0.11 0.00 0.02 0.00 88.06 0.23 13 S C C 34.02 8.85 23.74 32.74 132.98 171.75 -126.51 171.07 64.77 35.14 0.09 58.27 4.70 0.34 0.02 0.07 0.00 35.74 0.86 14 F C S 114.61 9.92 18.61 28.95 92.84 -90.45 -62.78 -34.21 98.39 0.95 0.66 2.14 54.85 41.68 0.03 0.52 0.00 0.65 0.14 15 N C S 91.35 6.92 19.91 27.23 102.03 19.26 -107.83 -5.14 98.78 0.67 0.55 2.05 53.76 43.14 0.02 0.48 0.00 0.47 0.09 16 N E E 41.84 12.08 21.63 34.00 140.76 19.36 -153.05 158.73 43.22 56.58 0.20 30.75 10.27 1.74 0.02 0.22 0.00 56.49 0.51 17 T E E 5.88 24.06 18.37 42.93 123.29 -146.40 -119.79 133.39 3.31 96.69 0.00 2.99 0.09 0.00 0.00 0.00 0.00 96.86 0.05 18 I E E 24.85 14.42 27.89 43.05 118.72 -161.21 -112.86 127.03 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 19 V E E 1.93 26.60 22.30 49.48 120.10 -166.68 -114.24 128.89 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 20 T E E 17.46 15.93 28.85 45.16 122.92 -167.73 -117.06 134.76 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 2.03 26.36 22.84 49.81 120.35 -163.15 -113.65 129.43 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 16.23 14.30 24.86 39.75 133.77 -176.61 -129.46 157.68 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.70 0.05 23 D C C 25.09 14.56 19.86 34.72 123.09 -121.83 -81.72 175.62 62.10 37.85 0.05 61.68 0.55 0.08 0.01 0.03 0.00 36.79 0.86 24 R C T 117.38 12.99 16.09 29.10 90.98 -92.01 -64.34 -20.50 99.33 0.15 0.52 0.24 2.81 96.39 0.01 0.43 0.00 0.10 0.02 25 Q C T 130.05 1.84 19.00 20.16 93.03 56.49 -87.89 0.41 99.29 0.07 0.64 0.23 2.80 96.37 0.02 0.54 0.00 0.04 0.02 26 G C S 30.58 12.37 13.83 26.41 96.81 -103.93 87.05 6.68 99.33 0.35 0.32 26.40 71.81 1.18 0.04 0.25 0.00 0.15 0.16 27 N C C 86.53 4.08 20.44 25.37 116.07 140.28 -81.76 138.97 98.10 1.83 0.07 95.24 2.88 0.22 0.02 0.03 0.00 0.93 0.67 28 A E E 46.06 16.35 15.31 31.05 110.65 -114.53 -73.77 127.62 2.42 97.57 0.01 2.36 0.13 0.01 0.01 0.00 0.00 95.83 1.66 29 L E E 49.77 13.97 20.35 34.39 101.03 175.95 -98.97 -26.41 2.70 97.28 0.01 1.59 0.91 0.10 0.00 0.01 0.00 97.36 0.03 30 G E E 9.37 14.53 23.55 38.74 146.91 -23.07 -170.21 166.25 0.94 99.05 0.01 0.65 0.17 0.03 0.00 0.00 0.00 99.13 0.01 31 W E E 79.52 20.68 21.42 39.96 137.57 -153.02 -147.03 149.90 0.81 99.19 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.21 0.02 32 A E E 15.44 19.10 24.77 43.00 135.07 -174.31 -140.58 149.67 1.36 98.63 0.00 1.28 0.05 0.00 0.00 0.00 0.00 98.62 0.05 33 T E E 37.02 17.01 25.24 41.07 126.90 -145.70 -112.76 146.21 9.23 90.71 0.05 8.40 0.65 0.07 0.02 0.03 0.00 90.31 0.53 34 A C C 11.21 22.90 19.11 41.33 100.72 -128.32 -78.30 -14.20 71.13 15.88 12.99 49.01 12.24 10.45 2.86 9.95 0.01 13.82 1.66 35 G C T 26.39 14.14 22.06 34.81 101.94 41.04 60.55 -36.80 61.63 5.06 33.31 20.28 16.60 26.81 6.30 25.09 0.08 2.80 2.03 36 G C G 37.67 11.12 20.68 31.06 96.83 40.54 -73.12 -13.48 57.06 2.36 40.58 15.84 14.50 28.23 7.25 31.65 0.05 1.18 1.30 37 S C T 56.68 10.64 18.60 29.15 101.17 68.31 -82.60 0.52 58.89 2.22 38.89 10.50 14.51 34.68 7.26 30.45 0.08 1.11 1.41 38 G C T 39.75 7.76 19.92 27.83 100.79 -19.52 86.51 -0.78 70.56 3.04 26.40 17.82 16.61 37.00 5.40 19.88 0.05 1.47 1.77 39 F C C 48.63 18.58 12.02 29.47 102.35 104.73 -90.14 36.71 76.81 8.56 14.64 45.43 17.62 13.64 4.90 9.32 0.04 3.52 5.53 40 R C T 157.33 4.44 15.24 21.71 111.65 130.29 -70.93 131.92 87.02 5.19 7.79 18.11 15.06 54.09 2.55 4.85 0.03 2.66 2.66 41 G C T 61.67 1.29 16.02 16.77 97.57 12.28 79.46 -0.12 91.62 1.67 6.71 11.33 22.13 58.24 1.31 5.20 0.01 0.88 0.91 42 S C C 52.06 9.66 10.47 21.03 118.76 106.62 -97.63 156.40 87.09 3.51 9.40 39.38 32.64 15.04 2.19 6.98 0.01 1.38 2.40 43 R C S 181.10 2.14 16.23 19.08 96.82 -129.57 -79.82 -14.61 82.30 3.58 14.12 22.57 38.07 22.54 2.49 10.60 0.02 1.76 1.96 44 K C C 114.33 5.72 18.49 25.24 120.71 71.27 -103.28 142.00 79.46 6.48 14.06 34.02 27.22 18.83 2.76 10.79 0.03 2.94 3.39 45 S C C 34.33 19.40 14.45 32.55 114.77 -135.62 -87.28 129.20 85.95 4.89 9.16 64.82 13.08 7.13 3.30 5.94 0.00 1.91 3.82 46 T C C 44.87 10.96 23.23 34.26 126.44 -168.34 -117.37 149.03 90.46 0.76 8.78 70.00 17.96 1.15 9.66 0.40 0.00 0.16 0.68 47 P H H 51.69 16.19 20.08 35.42 92.69 -116.59 -61.24 -34.18 15.97 0.06 83.97 2.15 2.16 11.01 83.63 0.96 0.02 0.02 0.03 48 F H H 96.41 7.01 27.10 34.87 91.72 55.62 -64.71 -39.56 5.92 0.03 94.05 0.96 0.60 4.03 93.74 0.64 0.01 0.01 0.01 49 A H H 5.33 21.18 23.07 44.05 91.51 51.71 -63.90 -42.55 0.49 0.00 99.50 0.14 0.04 0.21 99.41 0.19 0.00 0.00 0.00 50 A H H 1.62 26.76 22.88 49.61 91.31 50.46 -63.94 -41.93 0.13 0.00 99.87 0.02 0.01 0.07 99.83 0.08 0.00 0.00 0.00 51 Q H H 63.63 12.86 28.80 41.83 91.66 50.77 -63.82 -41.88 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 52 V H H 39.20 9.60 29.62 41.05 91.52 49.89 -63.78 -42.81 0.11 0.00 99.89 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 53 A H H 1.52 25.48 25.29 50.41 91.69 49.53 -64.06 -43.16 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 54 A H H 2.01 26.27 24.12 50.07 91.63 51.50 -63.30 -42.77 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 E H H 85.07 8.43 29.24 38.80 91.52 50.30 -63.86 -41.92 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 56 R H H 84.76 9.75 28.86 39.54 91.80 49.24 -65.02 -41.60 0.20 0.00 99.80 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 57 C H H 1.03 27.18 23.20 50.44 91.55 49.47 -64.47 -43.11 0.26 0.00 99.74 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 58 A H H 8.11 21.18 23.01 43.55 91.23 51.25 -62.47 -43.14 0.17 0.00 99.83 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 59 D H H 77.60 3.16 28.54 31.34 91.39 49.91 -63.82 -42.01 0.20 0.00 99.80 0.01 0.01 0.14 99.78 0.06 0.00 0.00 0.00 60 A H H 15.42 13.61 22.25 36.62 91.63 50.30 -63.90 -42.37 0.29 0.00 99.71 0.02 0.01 0.22 99.63 0.12 0.00 0.00 0.00 61 V H H 2.15 26.56 15.22 42.42 91.35 50.81 -63.74 -42.95 0.68 0.00 99.32 0.09 0.05 0.49 98.89 0.48 0.00 0.00 0.00 62 K H H 113.12 8.20 19.61 28.75 91.32 50.70 -63.44 -40.49 1.54 0.00 98.46 0.11 0.07 1.30 96.89 1.64 0.00 0.00 0.00 63 E H H 140.86 1.59 21.02 21.78 90.65 53.12 -65.73 -30.39 8.20 0.00 91.79 0.15 0.21 8.21 90.14 1.28 0.01 0.00 0.00 64 Y C T 75.10 13.62 14.96 28.99 94.21 48.59 -89.31 -2.25 65.81 0.03 34.16 0.48 1.39 63.63 32.86 1.59 0.00 0.01 0.03 65 G C T 43.95 3.67 23.23 27.09 97.51 -108.44 83.81 17.27 99.78 0.02 0.20 3.17 1.14 95.56 0.07 0.04 0.00 0.01 0.00 66 I C C 11.15 24.44 10.33 34.47 112.81 158.51 -79.73 125.84 90.95 8.94 0.12 91.18 0.47 0.10 0.03 0.04 0.00 7.63 0.55 67 K C C 126.46 4.11 23.62 28.60 102.01 176.11 -103.15 -21.37 84.51 15.39 0.10 69.17 13.35 0.85 0.01 0.10 0.00 16.19 0.33 68 N E E 60.21 9.83 24.73 35.19 128.35 31.77 -134.68 134.08 34.57 65.27 0.16 24.87 7.90 1.23 0.02 0.16 0.00 65.43 0.40 69 L E E 3.76 26.77 16.23 43.89 127.42 -171.54 -129.18 138.03 3.13 96.86 0.01 2.93 0.14 0.01 0.00 0.00 0.00 96.80 0.11 70 E E E 50.44 11.35 28.26 40.48 119.39 -160.76 -114.04 129.52 0.49 99.51 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.55 0.01 71 V E E 3.30 26.23 20.03 46.88 119.55 -162.17 -113.47 126.63 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 72 M E E 42.51 12.41 27.67 40.68 116.51 -163.20 -110.92 122.92 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 73 V E E 6.01 24.90 17.75 43.07 121.45 -168.36 -113.71 130.06 1.81 98.19 0.00 1.78 0.03 0.00 0.00 0.00 0.00 98.11 0.07 74 K E E 93.41 9.13 24.63 33.72 116.87 -167.40 -109.57 122.08 37.98 61.99 0.03 30.42 6.35 0.22 0.00 0.03 0.00 62.56 0.41 75 G C C 19.84 10.49 20.85 32.00 139.34 45.00 150.68 168.80 89.87 10.08 0.05 49.37 39.63 1.06 0.00 0.05 0.00 9.34 0.54 76 P C C 76.39 8.91 19.58 28.62 112.37 -61.31 -73.92 142.23 97.71 2.18 0.12 55.37 41.28 1.39 0.02 0.11 0.00 1.38 0.46 77 G C S 25.38 8.22 19.10 28.51 140.42 85.32 153.27 -176.22 98.69 0.77 0.54 29.99 67.65 1.05 0.31 0.15 0.00 0.19 0.66 78 P C T 96.82 3.86 20.81 25.02 108.04 -45.57 -65.97 133.05 92.60 0.22 7.18 2.20 8.59 82.54 3.76 2.61 0.00 0.10 0.21 79 G C T 19.14 15.18 17.11 32.00 96.85 26.15 81.74 0.28 93.05 0.11 6.83 7.73 5.39 80.38 4.68 1.69 0.00 0.05 0.08 80 R H H 54.42 19.96 15.94 34.83 93.16 110.12 -60.78 -42.10 7.90 0.04 92.06 3.82 1.33 2.80 90.34 1.67 0.00 0.01 0.02 81 E H H 117.57 4.68 23.37 28.94 91.66 51.60 -63.26 -40.86 1.58 0.00 98.42 0.36 0.15 0.82 98.21 0.44 0.00 0.00 0.00 82 S H H 44.43 6.43 24.07 30.85 91.83 50.05 -65.13 -41.38 0.56 0.00 99.44 0.12 0.04 0.28 99.23 0.32 0.00 0.00 0.00 83 T H H 5.07 24.28 19.44 43.34 92.33 49.46 -64.97 -42.56 0.33 0.00 99.67 0.07 0.02 0.16 99.63 0.12 0.00 0.00 0.00 84 I H H 19.24 20.98 21.33 41.31 91.72 50.23 -63.64 -42.56 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.02 0.00 0.00 0.00 85 R H H 133.81 2.85 26.79 29.24 91.52 50.66 -63.20 -42.40 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 86 A H H 19.29 12.40 21.38 34.80 91.51 50.46 -63.86 -42.43 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 87 L H H 3.06 26.33 15.59 42.43 91.75 49.80 -64.12 -42.74 0.28 0.00 99.72 0.02 0.01 0.21 99.65 0.11 0.00 0.00 0.00 88 N H H 83.62 10.02 19.31 29.65 91.37 51.52 -63.08 -39.63 1.13 0.00 98.87 0.06 0.04 0.95 98.60 0.35 0.00 0.00 0.00 89 A H H 83.88 1.97 20.17 21.94 90.06 56.15 -66.19 -24.08 11.32 0.01 88.67 0.19 0.26 11.43 87.58 0.53 0.01 0.00 0.00 90 A C T 35.41 13.68 14.58 28.91 92.77 55.05 -86.25 -1.13 86.04 0.03 13.93 0.28 1.21 84.06 13.86 0.57 0.00 0.01 0.02 91 G C T 48.04 2.98 22.38 25.36 97.89 -101.88 90.27 9.93 99.86 0.01 0.13 1.06 1.31 97.56 0.04 0.02 0.00 0.00 0.00 92 F C C 18.24 23.50 10.50 33.45 118.96 137.50 -90.62 141.10 94.82 5.17 0.01 93.67 1.12 0.06 0.00 0.00 0.00 4.98 0.15 93 R E E 137.23 3.58 25.44 29.18 112.67 -137.77 -96.98 120.13 31.50 68.47 0.03 31.12 0.61 0.06 0.01 0.02 0.00 67.46 0.73 94 I E E 27.12 23.33 11.96 34.75 112.04 -147.22 -87.34 121.62 3.46 96.54 0.01 3.64 0.06 0.00 0.00 0.00 0.00 96.03 0.26 95 T E E 72.31 5.23 21.63 27.54 101.03 174.74 -95.39 -30.43 4.83 95.16 0.01 3.42 0.98 0.04 0.00 0.01 0.00 95.52 0.03 96 N E E 72.48 6.07 23.68 30.53 137.93 1.97 -153.32 147.78 1.40 98.59 0.00 1.04 0.14 0.01 0.00 0.00 0.00 98.79 0.01 97 I E E 38.70 22.73 13.63 35.27 124.23 -166.16 -128.61 127.62 0.51 99.49 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.49 0.01 98 T E E 56.80 7.37 23.95 31.83 129.71 -178.37 -131.18 143.57 0.77 99.22 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.22 0.04 99 D E E 57.76 16.33 15.61 31.20 113.38 -136.43 -93.06 121.49 7.93 92.06 0.01 7.32 0.36 0.02 0.00 0.00 0.00 92.07 0.22 100 V C C 69.72 9.88 17.42 28.08 102.83 175.25 -102.04 7.68 81.23 18.72 0.05 61.41 18.39 0.47 0.01 0.05 0.00 19.02 0.65 101 T C C 60.12 8.55 15.79 25.60 117.77 103.88 -93.73 136.63 91.11 8.84 0.05 48.56 42.88 0.59 0.01 0.05 0.00 7.02 0.89 102 P C C 86.27 6.28 16.83 24.30 113.03 -108.68 -69.39 143.34 95.24 4.70 0.06 75.41 19.53 0.57 0.01 0.06 0.00 3.55 0.87 103 I C C 60.88 13.63 11.75 25.81 118.91 -122.95 -104.17 130.65 93.35 6.52 0.13 76.99 16.27 0.36 0.05 0.08 0.00 3.39 2.85 104 P C C 72.48 6.14 15.64 23.14 113.34 -109.49 -66.42 146.20 92.33 5.66 2.01 81.48 6.44 4.06 0.39 1.84 0.00 3.65 2.14 105 H C C 109.53 9.31 11.58 21.70 110.37 -143.76 -90.46 117.72 83.90 6.25 9.85 39.75 21.43 22.55 1.30 8.84 0.01 2.82 3.30 106 D C T 109.72 3.34 14.74 19.05 100.32 14.53 4.62 33.00 85.30 2.83 11.87 22.90 24.99 36.96 1.20 11.14 0.00 1.39 1.42 107 G C C 44.30 5.96 13.45 20.68 104.23 -74.25 84.32 1.99 87.84 3.49 8.67 32.46 29.45 25.55 0.94 8.26 0.00 1.71 1.63 108 C C C 58.69 10.84 10.98 22.57 114.48 115.73 -89.97 133.24 89.55 7.37 3.08 58.48 22.58 7.86 0.69 2.63 0.00 3.34 4.41 109 R C C 136.38 5.19 14.10 20.97 120.05 -149.86 -103.19 138.99 95.14 4.61 0.26 70.13 24.81 0.55 0.09 0.15 0.00 1.88 2.39 110 P C C 80.23 6.07 12.81 20.55 115.93 -105.15 -66.15 149.92 99.03 0.65 0.31 94.52 3.99 0.63 0.09 0.17 0.00 0.35 0.24 111 P C C 82.80 7.26 10.15 18.98 113.35 -103.60 -66.26 147.76 96.03 1.36 2.62 84.53 6.38 5.15 0.68 1.86 0.00 0.68 0.71 112 K C C 147.70 2.69 10.43 15.07 114.02 -115.93 -83.37 138.17 91.94 3.75 4.31 70.92 13.88 6.78 1.17 3.31 0.00 1.98 1.96 113 K C C 154.67 2.42 9.05 13.58 114.06 -124.98 -89.18 134.92 89.42 5.44 5.14 68.53 14.86 5.94 1.29 4.01 0.00 3.80 1.58 114 R C C 163.03 2.95 7.78 12.89 115.17 -141.03 -93.52 134.15 86.30 9.61 4.09 72.28 8.96 4.88 1.22 2.85 0.00 7.39 2.40 115 R C C 178.64 1.79 8.24 11.82 113.39 -138.70 -92.67 126.64 86.22 12.07 1.71 82.19 2.36 2.10 0.71 0.80 0.00 7.42 4.44 116 V C C 105.04 4.36 9.51 15.52 109.80 -152.79 -94.83 107.91 99.79 0.20 0.01 99.67 0.13 0.05 0.00 0.00 0.00 0.11 0.02