# 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 F C C 94.72 12.48 14.74 27.14 116.35 -168.41 -97.43 133.90 99.80 0.19 0.01 99.77 0.09 0.02 0.00 0.00 0.00 0.10 0.02 1 A C C 61.53 7.12 15.93 24.09 117.92 -145.68 -94.86 139.61 91.89 7.52 0.59 88.96 1.17 1.96 0.12 0.33 0.00 6.58 0.87 2 F C C 97.40 11.26 14.52 26.37 118.84 -133.30 -99.69 135.88 69.42 29.60 0.98 50.40 15.32 3.64 0.21 0.92 0.00 27.02 2.48 3 V E E 35.36 16.33 15.23 31.72 123.11 -158.56 -114.69 136.43 40.82 58.63 0.55 33.49 5.49 0.90 0.22 0.41 0.00 51.78 7.72 4 S C E 49.70 9.48 22.43 32.12 121.78 -166.11 -119.03 133.02 50.08 49.78 0.14 43.16 5.24 0.40 0.03 0.12 0.00 50.09 0.97 5 P C E 25.59 22.15 14.04 35.22 116.12 -121.80 -75.21 144.36 51.23 48.42 0.35 45.24 3.92 0.61 0.07 0.26 0.00 48.99 0.90 6 R E E 121.36 6.32 23.78 30.90 121.54 -159.21 -116.18 132.40 24.94 74.60 0.46 22.03 2.50 0.53 0.21 0.29 0.00 68.48 5.97 7 L E E 54.11 17.37 14.98 31.88 114.21 -131.91 -86.83 130.59 38.47 61.01 0.52 32.76 4.57 0.74 0.23 0.38 0.00 57.17 4.14 8 L C C 50.19 11.47 14.49 27.26 119.81 -148.41 -97.17 141.87 83.39 16.03 0.58 72.94 8.17 1.51 0.14 0.49 0.00 15.07 1.69 9 P C T 88.62 5.75 14.15 21.26 102.39 -107.31 -66.47 3.64 90.02 5.95 4.03 34.41 19.76 35.94 0.40 4.00 0.00 4.59 0.90 10 D C T 107.22 3.29 13.81 18.30 103.00 41.10 -91.73 26.92 93.44 2.23 4.33 17.87 24.46 50.77 0.41 4.34 0.00 1.46 0.68 11 G C S 45.23 5.70 12.88 20.00 106.43 -63.13 88.17 -0.59 94.24 2.93 2.83 26.64 45.49 21.84 0.25 3.05 0.00 1.76 0.96 12 T C C 78.64 5.84 13.72 21.19 117.10 96.63 -97.99 131.55 94.28 5.29 0.43 59.40 33.17 2.01 0.11 0.36 0.00 3.09 1.86 13 P C C 70.90 9.26 12.66 23.00 110.78 -115.95 -71.64 148.50 91.09 7.04 1.87 60.88 21.85 8.25 0.39 1.66 0.00 5.79 1.17 14 D C C 94.84 5.00 16.92 22.94 108.56 -105.30 -82.90 120.55 80.80 16.34 2.86 61.39 11.70 7.10 0.54 2.43 0.00 15.49 1.34 15 V C E 46.29 16.90 11.38 27.62 117.80 -154.83 -101.15 130.72 52.49 45.54 1.97 43.93 6.09 1.93 0.45 1.32 0.00 45.27 1.00 16 H E E 98.15 7.81 19.54 27.94 115.84 -165.80 -106.94 126.23 24.08 74.39 1.53 18.68 4.60 1.40 0.45 0.84 0.00 73.43 0.60 17 Y E E 104.56 13.80 16.75 30.18 124.91 -158.64 -119.00 136.44 10.09 89.27 0.65 8.73 1.03 0.30 0.24 0.25 0.00 89.11 0.34 18 R E E 71.33 14.03 18.41 32.63 129.66 -174.99 -132.42 142.78 6.07 93.62 0.31 5.45 0.43 0.12 0.12 0.10 0.00 93.61 0.18 19 T E E 70.74 9.90 21.82 32.01 119.98 -140.14 -101.94 135.29 8.03 91.72 0.25 7.33 0.57 0.13 0.10 0.09 0.00 91.40 0.38 20 A E E 14.74 20.28 14.16 33.96 122.96 -159.73 -107.92 146.94 28.60 71.05 0.36 27.44 1.25 0.22 0.17 0.17 0.00 68.89 1.85 21 C C C 52.37 10.09 17.90 28.64 119.48 -128.21 -98.23 143.40 65.93 33.25 0.83 56.64 6.35 2.01 0.26 0.65 0.00 29.90 4.18 22 G C T 54.82 4.26 16.40 21.58 101.60 -24.24 54.22 58.90 97.72 1.38 0.90 0.77 5.68 91.64 0.08 0.66 0.00 0.97 0.21 23 G C T 56.36 3.10 17.19 21.20 96.77 -30.31 84.54 1.05 98.61 0.51 0.88 1.35 5.34 91.96 0.06 0.80 0.00 0.40 0.07 24 Q C C 61.08 11.84 14.97 27.85 119.25 136.29 -79.25 146.43 95.42 4.28 0.30 65.94 29.57 0.51 0.09 0.20 0.00 2.39 1.28 25 K E B 80.69 9.72 24.03 33.78 116.47 -114.87 -79.55 146.18 39.52 60.26 0.23 35.68 0.63 0.03 0.19 0.02 0.00 5.94 57.51 26 L H H 2.67 27.03 18.64 46.67 91.49 -120.78 -59.02 -40.28 2.03 0.05 97.92 0.63 0.32 1.11 97.12 0.78 0.01 0.03 0.01 27 R H H 40.66 20.03 21.90 40.56 91.14 54.32 -62.30 -41.59 0.89 0.02 99.09 0.22 0.09 0.53 98.49 0.64 0.00 0.01 0.00 28 D H H 68.95 4.31 26.28 30.62 91.51 49.89 -64.71 -40.75 0.40 0.03 99.57 0.14 0.06 0.21 98.83 0.73 0.00 0.03 0.00 29 I H H 13.59 16.45 20.05 37.31 91.55 50.38 -63.65 -43.48 0.38 0.04 99.58 0.11 0.06 0.21 99.27 0.32 0.00 0.03 0.00 30 M H H 3.53 25.41 16.14 41.88 91.47 49.44 -64.04 -43.10 1.08 0.11 98.81 0.29 0.12 0.72 98.32 0.45 0.01 0.07 0.02 31 L H H 74.76 9.99 19.00 29.36 92.12 49.15 -65.33 -40.85 2.26 0.04 97.70 0.27 0.14 1.81 97.21 0.53 0.01 0.02 0.01 32 D H H 100.56 2.75 19.67 22.68 90.99 52.97 -66.38 -29.93 9.82 0.04 90.14 0.33 0.37 9.34 89.44 0.46 0.02 0.01 0.02 33 A C T 33.80 12.97 14.60 28.44 95.30 48.18 -92.14 3.27 86.05 0.09 13.86 0.85 2.46 80.81 15.13 0.64 0.00 0.03 0.07 34 Y C T 170.41 3.11 21.17 24.91 94.01 -118.28 61.34 35.62 99.22 0.08 0.70 2.80 2.28 94.31 0.41 0.14 0.00 0.05 0.02 35 I C C 15.91 22.05 13.08 35.02 117.20 153.03 -98.79 129.34 92.14 7.66 0.20 89.21 2.78 0.30 0.08 0.10 0.00 6.18 1.36 36 D C C 75.61 7.44 25.74 33.80 109.37 -129.34 -84.41 120.00 78.43 21.11 0.45 76.18 1.64 0.59 0.14 0.24 0.00 18.66 2.55 37 L C C 10.55 24.79 17.18 41.80 118.73 -166.66 -108.70 130.53 63.13 35.74 1.13 56.28 3.99 1.39 0.49 0.71 0.00 27.08 10.06 38 Y C C 56.82 15.03 23.35 37.96 118.48 -154.02 -102.06 140.52 68.30 29.62 2.08 48.44 14.51 4.70 0.83 1.53 0.01 21.88 8.10 39 G C C 13.90 16.24 20.70 36.22 129.62 -143.55 -120.20 174.93 78.07 16.51 5.43 43.69 26.55 8.90 2.22 3.14 0.02 11.99 3.49 40 P C C 47.51 12.92 19.61 32.43 105.79 -72.49 -72.30 117.38 75.68 8.20 16.12 32.76 21.14 23.30 7.91 7.24 0.07 5.24 2.35 41 Y C T 84.95 13.70 17.82 30.96 101.09 57.96 -83.00 -11.06 64.17 8.07 27.76 22.98 17.80 24.98 15.78 10.38 0.45 4.42 3.22 42 D C H 73.56 10.31 17.40 27.71 97.73 61.18 -73.15 -19.08 57.13 5.20 37.67 23.29 15.60 19.71 24.05 12.19 0.27 2.94 1.96 43 K H H 103.57 8.31 17.65 26.44 99.88 67.59 -75.66 -30.30 43.01 8.20 48.79 18.66 11.48 14.63 32.47 14.64 0.52 5.27 2.33 44 L H H 75.05 10.74 16.93 27.75 97.32 59.75 -74.16 -30.00 36.28 14.95 48.77 17.64 8.63 11.96 32.63 14.42 0.66 10.76 3.29 45 L H H 65.73 12.91 16.37 29.03 99.97 58.90 -79.16 -15.70 37.24 16.18 46.59 18.41 8.49 12.04 31.81 13.27 0.61 11.82 3.54 46 L C H 69.18 11.86 17.11 28.96 104.50 55.50 -85.90 7.59 46.22 15.85 37.94 19.81 11.36 16.72 25.63 10.81 0.87 10.72 4.08 47 N C C 74.52 9.83 18.30 28.35 104.13 48.06 -94.60 51.41 59.50 13.15 27.35 27.03 13.09 20.48 17.62 9.10 0.40 7.92 4.36 48 C C C 40.70 16.70 14.42 30.21 99.94 130.08 -75.06 5.10 69.93 8.42 21.65 32.45 14.77 23.90 10.59 9.96 0.12 4.45 3.76 49 S C T 71.00 6.87 19.33 26.68 97.53 -100.96 53.41 22.56 76.47 4.66 18.87 21.39 17.10 38.74 6.48 11.46 0.06 2.47 2.29 50 G C T 38.39 10.04 16.13 26.43 98.34 -61.69 79.32 6.83 80.87 2.68 16.46 13.78 21.30 46.28 4.06 11.61 0.04 1.43 1.51 51 G C T 41.65 8.32 19.76 28.12 100.74 -72.18 67.85 10.67 85.37 3.88 10.75 24.18 25.11 36.81 2.30 7.79 0.01 1.95 1.84 52 G C C 23.70 16.03 16.08 31.13 103.30 -105.04 78.83 14.89 85.79 9.90 4.30 42.52 28.07 15.71 0.82 3.61 0.01 5.50 3.75 53 E C C 98.30 8.85 22.89 31.91 113.09 126.82 -99.99 115.11 73.83 23.01 3.16 47.08 19.65 6.99 1.04 2.35 0.02 12.24 10.62 54 C C C 29.29 19.22 18.79 36.67 104.86 55.87 -90.03 -0.42 73.37 22.73 3.89 47.02 17.80 8.69 1.14 3.00 0.02 14.16 8.17 55 G C S 20.38 14.14 23.44 36.88 111.29 -149.82 75.69 -7.10 77.53 19.95 2.51 33.99 35.89 8.91 0.46 2.09 0.01 16.13 2.52 56 T C C 44.73 14.33 25.14 38.82 117.59 53.30 -101.60 133.44 58.03 39.85 2.12 36.85 18.39 4.40 0.47 1.69 0.01 36.31 1.88 57 C E E 4.33 24.82 21.09 45.78 122.86 -157.90 -110.72 139.37 26.64 72.78 0.59 22.14 3.91 0.56 0.15 0.36 0.00 72.09 0.78 58 I E E 22.33 16.88 27.92 44.77 118.14 -153.47 -104.21 130.55 3.41 96.37 0.22 2.95 0.40 0.07 0.14 0.04 0.00 96.27 0.13 59 V E E 2.03 26.70 21.42 48.77 123.83 -167.58 -119.35 134.42 0.62 99.18 0.20 0.53 0.03 0.01 0.22 0.01 0.00 99.17 0.02 60 E E E 50.81 11.82 27.79 40.36 116.82 -153.44 -105.93 125.36 0.57 99.02 0.41 0.47 0.03 0.01 0.45 0.02 0.00 99.01 0.02 61 V E E 9.17 23.13 16.76 40.38 111.29 -145.15 -89.99 120.48 4.58 94.17 1.25 4.29 0.16 0.07 1.27 0.14 0.00 93.86 0.22 62 V E E 60.82 8.86 22.02 31.60 99.68 176.95 -89.94 -30.53 36.75 59.35 3.90 18.46 14.28 5.99 2.10 1.86 0.02 56.43 0.86 63 E C S 100.13 5.58 23.34 29.10 128.29 10.85 -139.57 141.45 63.73 30.71 5.56 9.39 29.57 26.60 1.79 3.37 0.10 27.38 1.80 64 G C C 20.74 14.13 17.91 31.68 104.45 12.09 84.37 -4.80 85.74 4.49 9.77 37.38 26.03 23.34 2.03 7.22 0.01 2.66 1.33 65 G H G 24.39 16.34 16.08 31.34 96.48 121.43 -59.93 -34.83 42.75 1.60 55.65 13.90 9.84 20.80 7.21 46.79 0.01 0.91 0.55 66 E H G 131.88 3.61 22.13 26.36 92.40 60.51 -70.29 -19.34 36.98 2.16 60.87 7.52 7.87 23.18 7.71 51.67 0.02 1.41 0.62 67 M H G 46.05 16.30 17.52 33.66 94.61 59.11 -85.89 -9.44 34.75 4.18 61.07 11.82 8.47 18.01 7.84 49.85 0.06 2.87 1.07 68 L C C 17.97 23.11 13.97 36.27 117.35 80.29 -93.23 135.28 69.24 14.50 16.26 38.49 24.42 6.46 7.51 7.81 0.08 4.63 10.60 69 S C C 44.49 9.42 20.29 30.06 122.09 -126.66 -94.00 155.35 94.22 5.34 0.44 63.84 29.69 1.16 0.16 0.28 0.00 2.89 1.98 70 P C C 86.66 5.13 20.70 26.52 115.51 -87.96 -66.86 148.25 96.34 3.14 0.52 80.03 14.88 1.55 0.19 0.32 0.00 1.88 1.16 71 K C C 67.16 18.39 10.75 27.87 114.81 -107.03 -71.48 141.87 94.12 5.35 0.53 88.99 4.16 0.39 0.34 0.16 0.00 1.75 4.22 72 N C C 62.27 5.89 14.99 22.40 123.36 -129.14 -84.65 170.94 97.21 2.17 0.61 94.46 2.60 0.20 0.51 0.08 0.00 0.60 1.56 73 E H H 151.64 1.12 15.52 16.14 91.03 -97.10 -59.50 -37.36 2.43 0.02 97.55 0.56 0.46 1.33 97.06 0.58 0.00 0.01 0.00 74 V H H 76.06 3.95 16.34 21.19 91.57 51.31 -64.70 -41.03 1.35 0.01 98.64 0.23 0.15 0.89 98.03 0.69 0.00 0.01 0.00 75 E H H 19.16 18.65 11.77 30.41 92.06 49.61 -65.15 -41.29 0.61 0.02 99.38 0.12 0.07 0.38 98.67 0.75 0.00 0.01 0.00 76 K H H 91.65 8.90 16.43 26.25 91.29 51.66 -62.85 -41.06 0.59 0.01 99.40 0.10 0.05 0.39 98.88 0.57 0.00 0.01 0.00 77 E H H 108.75 1.50 20.26 19.62 91.66 49.97 -64.45 -41.33 2.05 0.01 97.93 0.19 0.11 1.72 97.08 0.87 0.00 0.01 0.00 78 K H H 67.44 9.69 16.99 27.73 92.23 48.64 -66.26 -39.41 6.22 0.01 93.77 0.38 0.30 5.47 92.30 1.52 0.01 0.01 0.01 79 L H H 14.62 21.30 11.01 31.67 92.41 52.61 -68.97 -30.40 17.34 0.12 82.54 2.19 1.38 12.93 75.44 7.88 0.04 0.06 0.07 80 K C H 141.96 3.06 17.17 21.42 91.55 62.29 -66.53 -26.06 50.72 0.24 49.05 3.19 2.91 42.90 43.57 7.13 0.03 0.11 0.16 81 R C T 169.03 1.59 17.03 18.10 96.58 52.17 -89.20 -0.99 69.43 0.31 30.26 5.68 6.46 55.43 24.87 7.19 0.01 0.14 0.21 82 K C S 66.97 16.38 9.13 24.37 120.02 97.80 -86.91 145.21 99.54 0.29 0.17 23.89 75.37 0.34 0.11 0.04 0.00 0.08 0.18 83 P C C 61.14 6.42 14.62 22.65 113.46 -103.99 -65.72 149.66 98.79 0.42 0.79 94.26 2.42 2.14 0.17 0.59 0.00 0.18 0.25 84 K C T 156.70 2.90 15.52 19.90 93.98 -106.19 -64.34 -23.71 94.90 0.37 4.73 2.98 12.91 78.39 0.38 4.96 0.00 0.24 0.14 85 S C T 57.93 8.35 17.83 26.90 95.72 53.60 -89.38 2.95 93.78 1.69 4.52 4.58 11.66 76.92 0.47 4.60 0.00 1.57 0.20 86 W C E 40.06 18.25 17.27 35.55 123.14 95.22 -104.88 139.52 48.84 47.48 3.68 41.10 6.48 1.55 0.71 3.01 0.00 45.47 1.68 87 R E E 43.58 16.92 25.10 41.21 130.99 -173.80 -128.66 147.19 15.99 82.77 1.24 14.84 1.03 0.32 0.88 0.58 0.00 78.80 3.53 88 L E E 8.71 23.81 23.59 47.42 111.44 -112.55 -76.52 129.04 14.92 84.34 0.75 14.49 0.57 0.18 0.55 0.32 0.00 81.23 2.66 89 A E E 5.61 23.32 25.80 48.36 98.40 -154.63 -83.17 -32.00 37.75 57.31 4.95 22.93 13.80 2.94 1.83 2.70 0.00 55.06 0.73 90 C E E 6.16 22.33 26.57 47.99 140.39 -1.90 -153.59 154.21 29.23 66.33 4.44 14.34 13.34 2.94 1.58 2.48 0.00 64.65 0.67 91 Q E E 42.03 20.26 25.86 44.06 129.02 -160.97 -127.45 139.25 18.98 77.11 3.91 16.37 2.31 1.02 1.93 1.70 0.00 75.45 1.23 92 A E E 7.52 21.96 21.46 43.00 134.35 -176.02 -134.53 150.80 19.07 78.49 2.44 16.91 1.75 0.70 1.57 0.98 0.00 75.50 2.59 93 T E E 49.09 11.55 25.37 37.02 116.67 -126.98 -99.35 132.89 32.30 66.52 1.17 27.76 3.37 1.07 0.65 0.68 0.00 63.30 3.16 94 V C T 29.47 21.00 15.70 36.09 110.34 -114.57 -69.79 129.21 78.14 20.32 1.54 18.01 15.77 45.17 0.28 1.26 0.00 18.24 1.26 95 G C T 43.12 7.51 20.15 27.76 101.02 23.34 88.63 -5.29 93.81 5.24 0.96 15.35 31.12 47.33 0.11 0.94 0.00 4.57 0.58 96 N C C 67.90 8.62 16.62 26.36 115.15 102.77 -101.90 122.36 95.90 3.70 0.40 64.94 30.02 1.18 0.12 0.27 0.00 2.02 1.44 97 P C T 84.62 8.77 14.99 24.83 94.48 -139.58 -64.68 -22.59 76.82 2.41 20.77 19.17 12.48 45.28 3.36 17.35 0.01 1.52 0.84 98 D C T 97.47 5.11 18.68 24.40 95.76 61.60 -84.42 -2.23 73.76 4.99 21.25 15.26 12.78 46.09 4.14 16.77 0.03 3.54 1.40 99 S C C 29.57 17.28 14.12 30.81 106.53 95.90 -88.26 59.55 63.71 12.45 23.85 32.89 16.09 16.68 4.78 18.26 0.05 8.51 2.75 100 T C C 57.39 11.89 19.92 31.78 110.62 122.43 -99.47 76.72 64.54 23.88 11.58 33.14 15.52 17.68 4.46 6.58 0.11 18.79 3.73 101 G C E 19.62 12.85 20.29 33.18 120.24 -73.44 112.80 -167.95 60.81 33.11 6.08 28.77 19.06 15.20 1.86 3.71 0.03 29.86 1.53 102 Q E E 80.25 10.11 24.08 34.31 123.07 -53.03 -109.48 139.24 37.40 58.51 4.09 28.58 7.17 2.68 1.88 2.08 0.00 56.38 1.22 103 M E E 12.22 24.51 16.33 41.05 121.28 -155.54 -111.53 133.28 14.80 83.33 1.87 13.07 1.30 0.47 1.36 0.54 0.00 82.65 0.61 104 V E E 40.41 10.65 25.79 37.26 119.33 -159.92 -110.65 130.09 6.26 92.69 1.05 5.62 0.39 0.16 0.86 0.21 0.00 92.48 0.28 105 I E E 22.10 21.99 17.32 39.03 119.15 -159.99 -110.05 128.19 8.06 90.36 1.58 7.04 0.60 0.25 1.28 0.33 0.00 90.20 0.30 106 Q E E 65.14 10.51 21.96 32.70 127.31 -173.60 -121.19 143.35 16.74 81.53 1.73 13.71 2.20 0.79 1.10 0.55 0.00 81.18 0.48 107 Q E E 86.63 11.76 18.63 30.40 117.61 -124.98 -91.14 134.75 39.06 59.40 1.54 33.00 4.93 0.98 0.88 0.64 0.00 58.23 1.34 108 L C C 48.47 15.17 13.51 28.81 117.13 -129.84 -91.07 137.60 87.40 10.57 2.04 81.17 4.90 1.00 1.10 0.77 0.00 10.15 0.89 109 P C C 65.65 7.60 15.38 24.22 112.28 -106.02 -67.19 150.15 72.17 5.02 22.81 51.15 8.33 12.95 9.96 12.52 0.00 4.19 0.90 110 E C C 126.97 4.69 14.06 20.08 108.71 -113.12 -80.59 118.99 66.69 4.24 29.08 43.70 9.05 14.05 14.44 14.70 0.01 2.86 1.21 111 W C C 117.65 10.09 9.61 20.36 114.71 -156.16 -93.09 128.32 58.49 5.60 35.91 40.22 9.32 8.72 19.53 16.95 0.02 3.74 1.49 112 K C C 138.61 3.37 12.12 16.97 108.66 -152.30 -87.82 110.58 59.57 5.60 34.84 41.12 9.06 8.97 22.07 13.51 0.02 3.83 1.44 113 V C C 93.78 4.96 10.60 17.14 110.96 72.56 -93.50 101.71 59.26 5.87 34.87 38.09 10.46 10.47 22.54 12.91 0.03 3.94 1.58 114 H C C 109.95 6.50 8.94 16.90 113.61 87.35 -98.30 120.36 65.18 6.07 28.75 44.17 10.43 10.01 17.96 11.54 0.02 4.36 1.51 115 K C C 142.94 2.69 10.51 14.75 110.60 -156.04 -95.35 117.23 68.61 7.73 23.66 46.29 10.06 11.67 14.26 10.01 0.02 5.61 2.08 116 W C C 161.71 5.28 7.28 14.10 111.73 -154.40 -96.15 117.59 75.52 6.34 18.14 47.92 12.15 15.47 9.91 8.26 0.01 4.48 1.79 117 D C C 112.47 2.07 8.99 12.67 111.72 -157.43 -96.10 121.68 87.15 3.93 8.92 74.60 2.27 11.27 4.64 3.14 0.00 2.83 1.26 118 K C C 153.03 2.68 10.28 14.75 110.15 -144.81 -88.37 115.08 99.80 0.16 0.04 99.66 0.13 0.08 0.02 0.00 0.00 0.10 0.02