# 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 97.92 8.68 11.47 21.12 114.54 -147.05 -88.38 130.38 99.89 0.10 0.02 99.67 0.23 0.04 0.00 0.00 0.00 0.03 0.02 1 E C C 116.06 4.14 11.38 17.35 116.77 -137.58 -87.94 135.70 98.74 0.49 0.77 97.37 1.00 0.57 0.41 0.16 0.00 0.16 0.33 2 P C C 87.11 5.31 9.24 16.45 105.39 -110.13 -64.44 139.83 82.20 1.02 16.77 57.65 6.30 17.89 4.09 12.94 0.00 0.56 0.58 3 D C T 114.63 2.23 10.44 14.06 104.99 -90.07 -79.45 90.23 77.02 1.39 21.59 31.18 13.91 32.85 5.17 15.38 0.00 0.63 0.88 4 G C C 53.37 3.21 10.64 15.12 102.10 4.19 67.93 1.99 75.38 1.58 23.04 29.80 21.39 25.17 6.27 15.54 0.01 0.66 1.16 5 R C C 150.21 3.31 10.58 15.61 107.18 107.41 -87.52 63.90 74.97 1.19 23.85 32.60 25.07 18.20 15.76 6.97 0.02 0.41 0.97 6 G C H 40.66 3.72 12.77 17.64 113.38 3.65 64.09 -154.11 62.49 0.71 36.81 22.69 20.80 20.37 29.69 5.68 0.03 0.24 0.50 7 A H H 67.56 4.31 13.30 18.76 94.90 -19.42 -67.06 -33.13 40.52 0.41 59.07 10.14 9.55 22.02 52.63 5.13 0.09 0.16 0.27 8 W H H 112.37 8.31 12.32 21.76 94.68 52.82 -70.72 -33.48 27.57 0.41 72.02 11.04 4.55 13.34 66.53 4.10 0.04 0.19 0.21 9 A H H 56.98 3.66 15.74 20.29 92.84 60.93 -63.35 -41.34 5.63 0.07 94.30 2.91 0.95 1.95 92.99 1.14 0.00 0.03 0.02 10 H H H 117.86 2.43 17.74 20.04 92.35 49.52 -65.88 -39.62 2.86 0.04 97.10 1.16 0.40 1.28 96.47 0.65 0.00 0.02 0.01 11 S H H 31.66 10.73 14.98 26.94 92.62 50.69 -65.18 -41.59 1.77 0.02 98.21 0.68 0.21 0.80 97.90 0.40 0.00 0.01 0.00 12 R H H 118.43 5.91 18.31 24.98 91.73 51.09 -63.64 -41.38 0.61 0.00 99.39 0.19 0.06 0.27 99.35 0.13 0.00 0.00 0.00 13 A H H 55.31 2.47 20.48 22.12 91.46 50.32 -63.64 -42.16 0.40 0.00 99.60 0.10 0.03 0.20 99.59 0.09 0.00 0.00 0.00 14 A H H 30.14 8.79 17.73 28.17 91.67 50.33 -63.81 -42.15 0.37 0.00 99.63 0.07 0.02 0.20 99.63 0.09 0.00 0.00 0.00 15 L H H 44.78 13.25 17.06 30.88 91.77 50.63 -63.97 -41.13 0.34 0.00 99.66 0.04 0.02 0.21 99.62 0.10 0.00 0.00 0.00 16 D H H 78.64 3.45 20.82 24.17 91.45 50.97 -63.65 -41.00 0.76 0.00 99.24 0.07 0.03 0.55 99.22 0.14 0.00 0.00 0.00 17 R H H 119.29 4.04 20.80 25.08 91.68 49.80 -64.75 -40.97 1.32 0.00 98.68 0.12 0.07 0.97 98.60 0.24 0.00 0.00 0.00 18 L H H 30.88 16.54 17.08 33.75 91.90 50.59 -64.46 -41.34 0.69 0.00 99.31 0.11 0.04 0.43 98.70 0.73 0.00 0.00 0.00 19 E H H 74.66 11.77 18.75 30.64 91.31 52.22 -62.53 -40.42 0.62 0.00 99.38 0.06 0.02 0.43 98.35 1.13 0.00 0.00 0.00 20 K H H 119.46 3.25 22.39 25.51 91.81 51.12 -65.15 -38.71 1.59 0.00 98.41 0.08 0.06 1.31 96.04 2.50 0.00 0.00 0.00 21 L H H 47.54 12.31 19.02 31.93 91.73 52.13 -67.82 -32.21 5.57 0.01 94.42 0.20 0.23 5.04 91.14 3.38 0.01 0.00 0.00 22 L H H 22.66 20.35 16.00 36.23 93.28 58.48 -81.99 -8.71 39.11 0.32 60.57 3.52 2.83 32.06 56.07 5.10 0.08 0.13 0.21 23 R C T 123.21 8.14 21.42 30.05 106.10 91.36 -82.95 93.43 70.26 3.60 26.14 21.16 9.27 39.49 20.11 6.05 0.10 1.47 2.36 24 C C C 24.95 16.19 12.22 28.78 116.43 120.56 -79.23 142.82 88.96 6.15 4.89 54.11 30.64 2.92 3.76 1.09 0.01 1.33 6.15 25 S H T 76.41 2.97 18.63 22.06 93.46 -126.37 -63.81 -35.09 48.71 0.81 50.48 2.96 9.75 36.08 31.36 18.39 0.37 0.36 0.75 26 R H T 113.90 7.80 18.23 26.74 92.58 55.57 -68.44 -32.10 46.82 0.24 52.94 1.21 4.10 40.98 31.94 21.21 0.19 0.11 0.27 27 C H H 7.55 22.50 12.39 34.76 97.50 38.25 -94.58 -15.83 35.12 0.41 64.47 2.85 3.43 26.47 35.75 30.82 0.16 0.20 0.33 28 T H G 61.33 12.61 15.31 28.19 91.81 80.89 -62.12 -30.73 21.53 0.25 78.22 2.37 2.01 15.39 39.10 40.79 0.05 0.13 0.15 29 N H G 119.65 1.72 21.61 22.36 91.57 56.81 -71.78 -19.58 35.47 0.15 64.38 1.62 2.54 29.97 28.20 37.43 0.04 0.07 0.13 30 I H T 44.98 14.64 16.67 31.46 97.14 50.90 -89.91 -17.28 43.61 0.35 56.05 3.60 4.03 33.84 29.78 28.20 0.07 0.17 0.30 31 L C C 20.34 22.94 11.29 33.20 113.55 92.42 -84.10 128.27 86.85 9.25 3.90 74.89 8.59 1.97 2.59 1.37 0.00 3.79 6.81 32 R C C 146.35 4.12 20.92 25.77 109.20 107.62 -94.86 -25.01 92.03 7.38 0.59 56.32 33.88 2.39 0.18 0.40 0.00 4.79 2.03 33 E C S 118.34 3.98 22.23 26.64 123.69 -4.40 -109.93 140.42 92.70 7.23 0.08 12.07 79.88 0.95 0.01 0.05 0.00 6.77 0.27 34 P C C 43.49 17.20 16.94 33.48 115.48 -93.77 -66.34 146.26 75.88 23.99 0.13 68.69 4.88 0.29 0.01 0.11 0.00 25.71 0.30 35 V E E 19.34 17.93 19.40 37.61 127.64 -167.73 -127.09 143.02 2.25 97.72 0.03 1.93 0.20 0.02 0.01 0.02 0.00 96.97 0.85 36 C E E 47.49 11.36 23.57 35.28 119.30 -135.93 -104.24 133.76 2.57 97.41 0.01 2.37 0.14 0.01 0.01 0.01 0.00 96.40 1.06 37 L C C 12.62 22.88 15.53 38.32 112.41 -147.27 -97.48 120.14 68.09 31.46 0.45 62.10 2.96 1.92 0.05 0.49 0.00 31.42 1.07 38 G C T 36.85 9.98 19.23 29.02 101.65 -39.77 58.81 4.60 95.80 1.01 3.19 1.43 8.60 85.04 0.05 3.95 0.00 0.76 0.17 39 G C T 55.21 3.47 20.13 24.04 96.17 -24.98 78.27 1.30 96.28 0.32 3.40 1.03 8.25 86.19 0.05 4.19 0.00 0.22 0.07 40 C C S 22.67 18.65 11.55 29.71 126.10 102.69 -107.21 156.68 92.55 3.27 4.18 14.97 61.40 15.55 0.20 4.65 0.00 1.91 1.32 41 E C S 127.35 4.19 22.61 27.28 96.10 -130.58 -81.65 4.86 98.34 1.40 0.26 22.54 59.48 16.31 0.02 0.35 0.00 1.10 0.21 42 H C C 36.79 17.74 18.34 35.81 120.56 110.06 -93.70 142.35 78.45 21.46 0.09 66.44 11.07 0.48 0.02 0.08 0.00 21.03 0.88 43 I E E 22.33 18.60 24.06 42.22 120.79 -154.55 -110.35 132.77 3.76 96.23 0.01 3.68 0.16 0.01 0.00 0.00 0.00 95.19 0.95 44 F E E 10.27 22.07 24.38 45.77 133.92 -173.50 -131.81 154.79 1.44 98.55 0.00 1.33 0.07 0.00 0.00 0.00 0.00 97.95 0.65 45 C E E 6.92 20.60 21.76 42.69 115.41 -105.97 -72.34 145.74 33.51 66.45 0.03 33.43 0.53 0.02 0.01 0.01 0.00 64.93 1.05 46 S H H 34.51 14.62 20.71 35.48 92.27 -117.15 -61.16 -36.28 11.99 0.15 87.87 1.52 1.73 8.09 64.29 24.18 0.04 0.10 0.04 47 N H H 89.40 4.72 24.98 30.00 91.26 56.20 -66.16 -31.93 7.45 0.05 92.50 0.40 0.53 6.10 67.59 25.32 0.02 0.03 0.01 48 C H H 14.88 17.67 18.47 36.29 94.32 48.14 -77.97 -33.85 6.78 0.07 93.15 0.61 0.55 4.94 67.10 26.72 0.01 0.05 0.01 49 V H H 8.47 24.12 14.77 38.34 94.44 55.71 -76.00 -25.57 14.07 0.33 85.60 3.50 2.75 8.08 72.83 12.41 0.10 0.18 0.16 50 S H H 64.46 6.64 19.88 27.32 93.87 63.72 -65.60 -39.66 27.41 0.71 71.88 3.80 3.71 18.79 53.41 19.09 0.41 0.38 0.42 51 D H H 112.49 1.96 20.45 21.79 95.69 38.43 -77.98 -17.30 33.98 0.39 65.63 2.60 3.32 26.63 49.54 17.18 0.26 0.21 0.26 52 C H H 34.97 15.93 14.69 30.21 101.80 40.53 -101.37 -9.64 41.12 1.95 56.93 8.21 6.46 26.28 41.98 14.55 0.46 1.05 1.01 53 I C T 59.58 16.65 14.04 29.69 113.80 98.89 -84.72 128.59 60.69 9.66 29.64 18.17 12.50 31.00 23.15 5.02 0.72 4.19 5.26 54 G C T 41.23 5.07 19.56 25.33 121.37 15.97 99.48 -166.61 90.73 3.43 5.84 26.70 22.54 42.38 2.84 2.42 0.01 1.94 1.17 55 T C S 91.00 5.02 18.93 24.77 101.52 -41.57 -97.06 -4.75 91.85 6.08 2.07 35.93 39.94 16.56 0.52 1.48 0.00 4.40 1.17 56 G E B 21.54 9.94 20.56 30.96 137.82 35.77 -152.89 171.44 36.35 63.24 0.42 25.09 5.96 0.37 0.29 0.13 0.00 11.18 57.00 57 C C C 8.66 21.47 13.58 35.71 111.57 -85.10 -76.25 131.38 94.88 5.06 0.06 94.64 0.96 0.11 0.02 0.02 0.00 2.43 1.82 58 P C T 59.23 9.55 20.07 30.71 93.18 -142.48 -68.20 -23.36 99.70 0.10 0.20 0.67 5.25 93.81 0.01 0.18 0.00 0.06 0.03 59 V C T 66.89 10.39 17.98 28.61 100.97 39.96 -88.90 -41.88 99.60 0.15 0.25 0.24 3.91 95.54 0.01 0.18 0.00 0.07 0.05 60 C C T 54.41 7.43 16.06 24.96 101.40 20.94 -107.85 -10.65 99.56 0.18 0.26 1.76 6.95 90.89 0.02 0.22 0.00 0.10 0.07 61 Y C C 142.02 7.16 16.07 24.76 93.95 -125.32 66.02 23.69 99.47 0.45 0.09 79.78 10.87 8.79 0.02 0.06 0.00 0.20 0.27 62 T C C 55.31 7.54 18.29 27.13 119.30 139.73 -87.05 144.07 91.09 8.88 0.03 76.12 15.60 0.16 0.01 0.02 0.00 6.00 2.09 63 P E B 66.24 9.04 21.19 30.48 114.48 -102.00 -64.97 144.13 5.90 94.07 0.03 4.74 0.15 0.00 0.04 0.00 0.00 14.05 81.01 64 A C C 7.06 23.08 13.65 36.71 129.86 -166.13 -128.72 150.07 93.15 6.72 0.13 89.79 3.95 0.23 0.03 0.09 0.00 4.51 1.40 65 W C C 91.73 7.02 24.72 31.91 129.04 -147.24 -113.61 157.52 89.02 10.57 0.42 86.95 1.85 0.15 0.14 0.23 0.00 2.25 8.42 66 I H G 53.41 17.99 13.77 31.40 91.53 -108.09 -59.09 -33.74 8.28 0.24 91.47 1.05 1.11 5.22 0.88 91.55 0.00 0.19 0.01 67 Q H G 133.68 2.13 19.89 22.09 89.96 62.74 -67.65 -21.00 7.28 0.13 92.59 0.41 0.62 5.16 0.61 93.10 0.00 0.10 0.00 68 D H G 63.61 9.70 17.17 27.88 95.30 54.90 -95.06 -1.14 7.99 0.16 91.85 0.94 0.97 4.57 0.66 92.73 0.00 0.12 0.01 69 L C C 18.28 23.73 10.08 32.94 116.16 102.66 -84.05 135.93 85.02 13.88 1.10 70.49 14.50 0.65 0.30 0.80 0.00 11.20 2.05 70 K E E 119.22 4.07 23.52 28.21 123.51 -169.10 -120.40 135.52 36.08 63.65 0.27 35.09 1.15 0.15 0.20 0.11 0.00 54.00 9.30 71 I E E 60.43 17.66 13.89 30.74 115.63 -132.46 -84.85 133.41 31.37 68.47 0.16 31.51 0.72 0.06 0.13 0.05 0.00 51.98 15.56 72 N C C 49.15 11.27 13.90 26.40 110.51 -124.08 -81.09 127.98 89.30 10.54 0.16 90.14 0.52 0.07 0.10 0.03 0.00 8.29 0.86 73 R H H 164.70 2.40 16.18 19.55 92.55 -138.42 -62.98 -34.72 2.86 0.01 97.14 0.28 0.24 2.16 96.27 1.05 0.00 0.00 0.00 74 Q H H 106.22 3.71 17.45 21.48 91.92 53.57 -64.94 -39.68 1.54 0.00 98.45 0.13 0.09 1.24 97.40 1.14 0.00 0.00 0.00 75 L H H 29.08 15.65 14.18 30.33 92.28 49.01 -66.25 -40.75 0.38 0.00 99.61 0.05 0.02 0.24 98.81 0.87 0.00 0.00 0.00 76 D H H 57.07 9.21 16.83 27.06 91.65 52.74 -62.77 -41.59 0.13 0.00 99.87 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 77 S H H 57.71 2.68 20.02 22.07 91.73 50.20 -64.22 -40.86 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 78 M H H 67.26 8.38 18.52 27.76 91.98 50.27 -64.81 -41.97 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 79 I H H 39.58 13.13 16.49 30.44 91.85 50.00 -63.97 -42.28 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 Q H H 101.53 3.21 20.46 23.73 91.58 50.55 -63.55 -41.38 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 81 L H H 77.51 4.26 19.24 23.64 91.68 50.11 -63.99 -42.42 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.03 0.00 0.00 0.00 82 C H H 36.23 10.82 16.54 28.55 91.93 49.96 -64.68 -41.20 0.30 0.00 99.69 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 83 S H H 44.60 6.34 17.47 25.15 91.58 51.75 -63.27 -40.92 0.73 0.00 99.27 0.08 0.03 0.49 99.29 0.11 0.00 0.00 0.00 84 K H H 119.21 2.19 19.33 20.92 91.74 50.29 -64.84 -40.86 1.17 0.00 98.83 0.12 0.06 0.81 98.77 0.23 0.00 0.00 0.00 85 L H H 63.41 7.30 16.37 24.87 92.14 50.47 -64.97 -40.55 1.12 0.00 98.87 0.19 0.08 0.68 98.55 0.50 0.00 0.00 0.00 86 R H H 102.35 7.83 15.55 24.42 91.77 51.89 -63.89 -39.94 2.02 0.01 97.97 0.35 0.16 1.31 97.17 1.01 0.00 0.00 0.00 87 N H H 88.58 2.77 16.22 19.38 92.05 51.71 -65.25 -37.71 6.46 0.03 93.51 0.74 0.44 4.97 91.93 1.88 0.01 0.01 0.01 88 L H H 90.59 3.68 14.76 19.34 92.68 51.49 -67.31 -36.81 12.45 0.08 87.48 1.44 1.06 9.66 85.84 1.91 0.02 0.03 0.03 89 L H H 84.14 6.67 12.71 20.52 95.06 52.73 -75.69 -29.42 29.85 0.61 69.54 7.15 5.26 18.59 66.16 2.17 0.08 0.24 0.34 90 H C H 115.79 4.46 12.39 18.13 102.72 52.19 -90.58 8.31 61.42 1.23 37.35 21.91 13.61 25.44 35.43 2.46 0.04 0.47 0.64 91 D C C 96.50 3.81 11.30 16.64 104.15 111.67 -79.44 73.00 75.38 0.92 23.70 36.88 13.85 24.69 18.05 5.58 0.00 0.39 0.56 92 N C C 109.85 3.56 11.35 16.39 100.00 -139.95 -78.60 -5.37 69.81 0.98 29.21 29.45 16.25 24.82 19.27 9.14 0.01 0.41 0.64 93 E C C 120.09 3.51 12.32 17.15 101.28 75.26 -81.05 -10.30 66.70 1.62 31.67 36.13 13.21 17.95 21.85 9.20 0.02 0.74 0.92 94 L C C 77.09 8.58 10.21 19.88 101.76 74.82 -78.53 -20.98 59.45 1.61 38.94 38.73 11.42 9.72 29.70 8.86 0.01 0.73 0.83 95 S C C 64.16 4.51 12.83 18.62 100.00 66.40 -74.18 -26.90 57.16 1.34 41.50 35.74 9.68 12.12 32.41 8.74 0.01 0.66 0.63 96 D C H 90.87 3.40 13.63 17.91 98.95 56.93 -82.01 -9.23 55.83 1.46 42.71 32.57 10.27 13.72 32.71 9.29 0.02 0.71 0.70 97 L C H 78.61 8.36 9.91 19.37 98.44 79.26 -73.69 -21.64 51.18 1.73 47.10 31.02 10.02 11.28 36.95 9.09 0.02 0.85 0.77 98 K C H 131.86 3.54 12.35 17.29 97.40 64.00 -75.31 -21.12 52.72 2.40 44.87 31.31 10.27 12.41 35.37 8.36 0.04 1.23 1.02 99 E C C 130.76 2.79 12.29 16.12 99.85 60.21 -80.29 -7.27 61.02 2.04 36.94 32.76 13.12 16.00 29.23 6.95 0.04 0.97 0.94 100 D C C 92.03 4.83 11.06 17.43 105.04 69.37 -91.85 59.00 74.40 1.84 23.76 42.75 16.38 15.27 18.46 5.32 0.01 0.81 1.01 101 K C C 112.42 5.60 11.54 18.70 112.27 155.63 -87.23 125.17 82.28 1.44 16.28 52.67 22.98 5.97 14.11 2.91 0.00 0.57 0.79 102 P C C 78.19 5.57 11.77 18.92 104.98 -113.56 -69.92 130.58 75.67 1.41 22.92 57.83 7.91 8.90 19.46 4.51 0.00 0.73 0.65 103 R C C 136.22 5.36 12.32 19.04 99.04 59.16 -72.31 -25.59 55.49 2.22 42.29 36.14 10.65 9.52 34.05 7.57 0.02 1.13 0.92 104 K H H 117.51 4.86 12.92 19.07 97.61 60.74 -71.35 -32.55 46.37 2.23 51.40 28.13 8.92 10.59 39.94 10.35 0.03 1.29 0.76 105 S H H 60.07 4.30 13.39 18.89 97.58 55.05 -72.40 -31.25 45.68 2.68 51.64 28.74 7.46 10.67 39.61 10.98 0.03 1.66 0.85 106 L H H 83.44 6.24 12.53 20.20 95.37 55.84 -71.33 -30.52 42.77 3.38 53.85 23.96 9.13 11.73 42.07 9.94 0.07 2.04 1.06 107 F H H 102.26 7.37 11.47 20.01 97.12 55.36 -76.30 -27.45 46.67 3.89 49.45 25.48 10.83 12.88 39.81 7.37 0.10 2.19 1.35 108 N C C 106.45 2.94 12.42 16.54 98.50 60.86 -77.14 -16.53 60.03 2.56 37.41 31.46 12.52 17.09 30.66 5.92 0.04 1.34 0.98 109 D C C 98.29 3.39 11.29 16.00 101.19 64.02 -86.99 11.73 66.46 2.41 31.13 37.15 11.95 17.76 25.02 5.87 0.02 1.16 1.06 110 A C C 66.49 5.54 9.27 16.38 102.15 108.32 -79.44 -11.28 66.85 1.83 31.32 32.50 14.27 21.10 21.66 8.67 0.03 0.84 0.94 111 G C C 50.81 3.26 10.91 15.57 104.46 55.34 -59.96 -17.64 71.54 1.79 26.67 27.47 18.53 26.96 14.54 10.68 0.03 0.82 0.97 112 N C C 116.10 2.53 9.04 13.12 105.37 64.67 -88.00 47.70 75.30 3.16 21.54 40.58 17.24 18.43 9.91 10.73 0.02 1.62 1.48 113 K C C 138.20 3.35 7.37 12.67 108.99 133.49 -88.29 106.50 83.66 4.57 11.77 72.01 3.15 9.13 6.57 4.09 0.00 2.43 2.62 114 K C C 150.87 2.40 10.52 14.58 110.61 -155.39 -88.77 121.06 99.81 0.14 0.05 99.69 0.11 0.08 0.03 0.00 0.00 0.07 0.02