# 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 75.21 13.64 14.96 28.71 121.97 -167.83 -107.40 137.10 99.59 0.40 0.02 99.55 0.13 0.04 0.01 0.00 0.00 0.22 0.04 1 T C C 71.14 7.13 14.95 23.54 125.15 -168.17 -118.84 142.88 80.28 18.90 0.82 78.51 1.66 0.82 0.40 0.33 0.00 12.37 5.91 2 Y E B 88.66 12.11 10.36 22.93 119.33 -166.21 -118.16 123.33 44.58 52.76 2.66 29.36 9.17 4.00 1.41 1.42 0.11 22.16 32.37 3 R C T 160.37 4.46 12.86 18.83 96.60 -23.62 47.70 43.90 95.03 2.55 2.42 4.37 11.50 79.35 0.53 1.69 0.00 1.69 0.87 4 G C T 60.64 1.69 13.70 15.54 97.33 -50.48 82.63 1.72 97.07 0.98 1.94 4.58 15.15 77.45 0.31 1.52 0.00 0.69 0.29 5 V C C 54.24 10.34 8.84 20.40 120.17 115.89 -101.64 139.21 52.46 46.44 1.09 31.32 20.64 1.25 0.78 0.45 0.02 17.73 27.81 6 D C C 81.65 2.67 16.60 19.23 116.10 -120.58 -77.88 147.86 90.78 8.81 0.41 90.20 1.01 0.26 0.27 0.08 0.00 6.68 1.48 7 L H H 76.20 12.15 10.49 23.01 93.13 -121.71 -59.38 -37.07 5.25 0.04 94.71 0.99 0.58 3.47 88.64 6.28 0.01 0.02 0.01 8 D H H 104.84 1.62 16.09 17.40 92.07 54.98 -64.94 -37.73 3.27 0.02 96.71 0.29 0.24 2.53 89.58 7.34 0.01 0.01 0.00 9 Q H H 93.32 3.16 15.85 19.59 92.53 49.80 -67.54 -37.47 1.55 0.01 98.44 0.16 0.11 1.13 91.56 7.04 0.00 0.01 0.00 10 L H H 23.04 17.45 10.42 27.72 92.27 53.21 -65.45 -38.69 2.41 0.01 97.58 0.26 0.18 1.75 90.11 7.69 0.00 0.01 0.00 11 L H H 85.29 8.21 14.68 24.01 91.29 56.07 -68.52 -22.99 34.78 0.03 65.19 0.43 0.66 35.11 58.54 5.21 0.02 0.01 0.03 12 D C T 119.57 0.95 17.35 16.68 94.41 55.91 -87.83 -3.60 67.41 0.03 32.56 0.73 1.37 66.75 27.96 3.14 0.00 0.01 0.03 13 M C S 44.04 14.30 7.85 22.21 120.77 104.29 -80.52 148.31 98.80 0.77 0.44 26.56 71.70 0.50 0.36 0.06 0.00 0.17 0.63 14 S C C 59.99 2.04 18.23 19.21 119.57 -109.71 -71.76 160.82 97.38 2.46 0.16 97.43 0.34 0.05 0.11 0.01 0.00 0.44 1.62 15 Y H H 135.05 7.92 11.87 21.05 91.40 -106.76 -58.65 -38.92 1.01 0.00 98.99 0.18 0.13 0.54 98.84 0.30 0.00 0.00 0.00 16 E H H 132.79 1.42 16.98 17.68 91.73 53.46 -63.74 -40.45 0.32 0.00 99.68 0.03 0.02 0.22 99.45 0.28 0.00 0.00 0.00 17 Q H H 77.27 5.98 16.20 23.49 91.72 48.82 -65.67 -40.15 0.15 0.00 99.85 0.02 0.01 0.09 99.58 0.30 0.00 0.00 0.00 18 L H H 30.65 15.25 13.71 29.59 91.84 51.08 -63.82 -42.06 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 19 M H H 80.78 6.02 18.89 25.47 91.43 50.55 -63.69 -40.90 0.19 0.00 99.81 0.01 0.00 0.14 99.76 0.09 0.00 0.00 0.00 20 Q H H 99.23 3.27 20.95 24.10 91.78 50.43 -64.96 -41.07 0.93 0.00 99.07 0.03 0.02 0.86 98.85 0.23 0.00 0.00 0.00 21 L H H 31.33 13.50 17.71 32.02 91.86 49.72 -64.89 -42.22 1.39 0.00 98.61 0.10 0.07 1.10 98.37 0.35 0.00 0.00 0.00 22 Y H H 73.97 10.68 19.78 31.02 91.67 49.90 -64.10 -41.74 1.93 0.01 98.06 0.41 0.21 1.15 97.81 0.42 0.00 0.00 0.00 23 S H H 49.79 4.39 20.82 25.27 91.96 49.99 -64.52 -41.07 3.93 0.02 96.05 0.87 0.33 2.49 95.67 0.62 0.00 0.01 0.01 24 A H H 32.24 7.29 18.23 27.21 91.99 51.59 -64.10 -41.31 3.22 0.02 96.76 0.70 0.33 1.97 96.13 0.84 0.00 0.01 0.01 25 R H H 82.25 10.60 18.00 29.17 92.48 50.45 -64.88 -40.61 2.95 0.02 97.03 0.69 0.32 1.75 96.09 1.13 0.00 0.01 0.00 26 Q H H 80.43 6.52 18.35 25.42 92.06 51.26 -64.62 -40.04 4.27 0.03 95.70 0.93 0.41 2.70 94.10 1.83 0.00 0.01 0.01 27 R H H 123.93 3.92 18.20 22.54 92.07 50.95 -65.97 -38.89 8.09 0.06 91.85 1.59 0.85 5.45 89.47 2.57 0.02 0.03 0.02 28 R H H 97.34 8.48 15.83 25.18 93.39 52.88 -67.63 -35.21 17.39 0.25 82.36 4.77 2.44 10.69 77.85 3.97 0.04 0.12 0.12 29 R H H 114.25 8.03 15.70 24.51 93.17 55.55 -67.43 -33.93 29.33 0.95 69.72 12.51 4.66 13.84 63.14 4.89 0.05 0.49 0.42 30 L H H 97.96 5.23 15.12 21.16 95.89 55.38 -76.47 -18.78 42.20 1.44 56.36 20.53 7.78 15.59 50.34 4.36 0.06 0.67 0.69 31 N C C 88.93 5.93 13.49 20.79 103.27 67.45 -87.18 51.34 62.91 1.22 35.88 34.15 10.28 18.12 32.65 3.66 0.01 0.50 0.63 32 R C T 137.29 5.63 13.44 20.44 102.71 121.98 -74.89 31.65 60.11 0.81 39.08 12.62 12.54 35.27 33.65 5.00 0.08 0.33 0.50 33 G C T 37.05 6.10 15.88 23.04 101.19 -4.35 70.53 -27.29 60.90 0.60 38.50 14.95 11.13 34.99 33.13 5.14 0.04 0.24 0.37 34 L H H 51.32 13.34 12.27 25.85 97.55 75.73 -76.18 -17.28 38.56 0.89 60.55 25.26 5.81 8.85 53.59 5.67 0.01 0.43 0.38 35 R H H 124.53 7.08 15.64 23.89 94.17 66.05 -65.91 -39.74 24.68 0.93 74.40 14.56 4.28 7.70 67.10 5.51 0.02 0.51 0.33 36 R H H 149.48 2.79 17.59 20.55 93.75 51.01 -65.88 -37.99 17.69 0.55 81.76 9.00 3.16 6.83 75.44 5.03 0.02 0.32 0.19 37 K H H 100.77 6.68 18.13 25.58 93.19 51.22 -67.43 -38.21 13.89 0.32 85.79 7.73 2.43 4.65 81.60 3.30 0.01 0.17 0.11 38 Q H H 39.48 17.18 15.40 32.12 92.59 51.91 -64.51 -40.31 10.94 0.19 88.87 5.94 1.46 3.78 86.72 1.92 0.00 0.09 0.07 39 H H H 91.32 6.84 20.19 27.65 92.00 52.47 -64.55 -39.50 6.21 0.07 93.72 2.74 0.83 2.57 92.70 1.10 0.00 0.03 0.03 40 S H H 47.38 3.79 22.06 25.79 91.74 51.89 -64.30 -41.13 2.90 0.02 97.08 1.18 0.34 1.24 96.74 0.48 0.00 0.01 0.01 41 L H H 16.92 17.22 18.40 36.09 91.89 50.95 -64.70 -42.67 1.10 0.00 98.90 0.34 0.11 0.53 98.79 0.23 0.00 0.00 0.00 42 L H H 28.33 16.51 18.81 35.37 91.43 51.16 -63.06 -41.73 0.57 0.00 99.42 0.15 0.05 0.30 99.39 0.12 0.00 0.00 0.00 43 K H H 114.22 2.47 24.46 25.75 91.46 50.56 -63.68 -41.68 0.36 0.00 99.64 0.08 0.02 0.20 99.64 0.06 0.00 0.00 0.00 44 R H H 95.43 7.42 22.14 29.95 91.73 49.20 -64.91 -41.32 0.25 0.00 99.75 0.04 0.01 0.15 99.75 0.05 0.00 0.00 0.00 45 L H H 8.41 22.23 15.74 38.11 91.75 50.53 -64.07 -42.22 0.22 0.00 99.78 0.03 0.01 0.14 99.75 0.07 0.00 0.00 0.00 46 R H H 106.29 7.29 21.42 29.17 91.47 51.48 -63.15 -41.51 0.35 0.00 99.64 0.04 0.02 0.25 99.61 0.08 0.00 0.00 0.00 47 K H H 110.03 2.03 23.07 23.21 91.70 49.80 -64.39 -41.67 0.76 0.00 99.24 0.07 0.04 0.56 99.17 0.16 0.00 0.00 0.00 48 A H H 13.55 13.71 15.14 30.45 91.70 50.69 -64.21 -40.89 0.99 0.00 99.01 0.12 0.06 0.68 98.78 0.36 0.00 0.00 0.00 49 K H H 76.27 14.37 14.88 28.92 91.62 53.19 -64.26 -37.77 2.35 0.00 97.64 0.21 0.14 1.81 96.04 1.78 0.00 0.00 0.00 50 K H H 155.88 1.21 18.57 18.70 92.30 52.59 -69.48 -29.93 10.70 0.01 89.29 0.36 0.46 9.82 87.69 1.64 0.01 0.00 0.01 51 E H H 134.64 1.98 16.61 18.33 96.66 46.21 -92.30 -8.65 31.04 0.07 68.88 1.63 2.60 26.00 68.18 1.48 0.03 0.02 0.06 52 A C S 22.35 16.51 6.72 22.12 120.09 99.63 -81.96 148.97 99.74 0.18 0.08 22.45 77.11 0.19 0.05 0.01 0.00 0.03 0.16 53 P C C 71.27 2.82 15.03 18.48 116.90 -104.15 -64.62 151.25 99.81 0.13 0.07 98.20 1.37 0.22 0.02 0.03 0.00 0.03 0.13 54 P C T 111.15 2.89 10.83 15.58 95.12 -93.70 -60.06 -26.45 97.79 0.05 2.16 0.80 4.53 91.89 0.04 2.69 0.00 0.03 0.03 55 M C T 157.28 0.92 12.78 13.30 95.74 37.91 -78.89 -1.21 97.28 0.08 2.64 0.85 4.30 91.35 0.04 3.38 0.00 0.05 0.03 56 E C C 98.39 5.98 11.41 19.23 118.66 91.64 -99.65 139.39 93.60 2.59 3.82 44.94 43.62 3.46 0.27 4.42 0.00 0.85 2.43 57 K C C 134.39 4.45 15.54 21.80 115.50 -136.96 -89.06 132.59 99.20 0.75 0.05 94.41 4.73 0.15 0.01 0.03 0.00 0.31 0.36 58 P C C 30.62 19.40 11.08 29.75 116.79 -111.97 -66.94 149.96 98.69 1.20 0.11 96.14 2.36 0.38 0.02 0.08 0.00 0.69 0.33 59 E C C 108.18 5.52 22.40 28.19 115.06 -113.71 -79.84 140.66 92.22 7.58 0.20 70.54 20.94 0.84 0.03 0.22 0.00 6.69 0.74 60 V E E 52.75 15.87 17.63 33.07 116.45 -125.67 -91.04 132.99 48.36 51.53 0.11 43.45 4.38 0.21 0.03 0.09 0.00 50.27 1.56 61 V E E 14.86 20.46 16.97 37.67 120.31 -160.31 -109.37 131.60 11.35 88.62 0.03 11.22 0.35 0.03 0.02 0.02 0.00 86.35 2.01 62 K E E 101.29 8.34 24.79 33.64 116.81 -142.89 -94.95 133.94 12.95 87.02 0.03 12.62 0.49 0.04 0.01 0.02 0.00 85.53 1.28 63 T C C 13.26 22.99 14.34 36.90 128.03 -165.21 -122.23 145.83 56.36 43.40 0.24 52.56 2.47 0.38 0.06 0.17 0.00 42.64 1.72 64 H C C 84.49 8.60 22.84 32.03 100.71 -154.41 -93.41 -2.41 83.23 15.87 0.90 43.96 34.53 5.30 0.13 0.91 0.00 13.71 1.47 65 L C C 36.92 17.34 16.66 33.52 110.21 70.34 -99.47 101.94 89.72 6.80 3.48 60.43 19.96 8.80 0.52 3.66 0.00 4.70 1.93 66 R C T 115.89 11.13 18.25 29.54 95.82 141.18 -72.78 -29.06 86.14 4.41 9.45 20.10 20.62 45.42 0.87 8.92 0.00 2.77 1.30 67 D C T 90.94 5.99 21.16 27.61 96.87 49.34 -90.91 6.95 88.07 2.68 9.25 16.74 24.35 46.79 0.72 8.92 0.00 1.77 0.70 68 M C C 32.09 19.34 14.93 33.93 123.74 106.37 -103.25 144.13 82.93 10.87 6.20 63.11 15.36 4.15 1.01 5.80 0.00 8.07 2.49 69 I C C 63.85 10.83 24.08 35.23 115.67 -131.61 -97.03 126.06 64.98 34.25 0.77 52.72 10.35 1.12 0.34 0.55 0.00 24.90 10.01 70 I C C 19.39 22.80 16.65 39.44 115.26 -152.84 -99.70 125.63 53.64 46.16 0.20 48.70 5.33 0.25 0.12 0.10 0.00 23.33 22.17 71 L C C 36.67 13.53 20.65 34.74 113.99 -151.88 -95.95 121.83 99.40 0.58 0.02 99.04 0.55 0.02 0.01 0.00 0.00 0.30 0.07 72 P H G 61.32 11.66 17.92 30.37 91.47 -133.36 -59.62 -30.90 10.05 0.11 89.85 1.17 0.87 6.77 1.92 89.17 0.00 0.09 0.01 73 E H G 108.12 6.97 21.09 28.93 89.79 65.11 -67.53 -18.72 8.77 0.07 91.15 0.32 0.55 7.35 1.47 90.25 0.00 0.06 0.01 74 M H G 10.59 22.63 14.93 38.22 94.55 55.52 -93.34 -6.06 8.93 0.09 90.97 0.94 0.84 5.78 1.27 91.09 0.00 0.06 0.01 75 V C T 52.41 15.13 16.71 32.21 112.38 114.99 -62.81 132.13 96.51 0.94 2.55 0.67 1.60 95.27 0.38 1.11 0.00 0.31 0.65 76 G C T 42.19 4.75 22.48 28.22 95.06 22.08 85.95 -4.21 99.48 0.18 0.34 0.39 2.12 97.13 0.02 0.19 0.00 0.13 0.02 77 S C C 15.78 17.77 16.60 35.00 120.72 129.17 -78.57 153.47 95.71 4.25 0.03 87.27 8.10 0.16 0.00 0.03 0.00 4.27 0.16 78 M E E 58.90 11.34 25.18 37.15 117.67 -129.47 -103.06 130.28 1.37 98.63 0.00 1.38 0.05 0.00 0.00 0.00 0.00 98.26 0.31 79 V E E 4.19 25.31 19.45 45.24 123.92 -169.86 -119.24 135.32 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 80 G E E 7.32 15.48 25.45 41.44 122.98 -147.43 -101.80 145.33 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 81 V E E 8.72 21.48 20.76 42.51 122.07 -157.49 -118.18 131.20 0.41 99.59 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.01 82 Y E E 46.10 14.20 19.02 34.05 117.47 -156.91 -109.44 126.32 6.20 93.78 0.03 5.17 0.64 0.08 0.00 0.02 0.00 93.89 0.20 83 N E E 63.02 9.25 17.56 28.14 103.58 176.49 -111.04 38.52 39.69 59.40 0.91 19.65 12.29 9.42 0.08 0.97 0.00 56.75 0.84 84 G C T 42.60 7.00 15.38 23.04 98.96 -90.73 74.36 -22.57 98.49 0.42 1.09 2.45 28.48 67.41 0.03 1.26 0.00 0.29 0.09 85 K C T 156.68 1.71 15.71 17.47 103.48 25.61 -102.10 -18.60 98.67 0.51 0.82 2.48 34.18 62.01 0.03 0.86 0.00 0.35 0.09 86 T E E 84.54 2.55 17.30 20.31 127.14 37.81 -127.10 145.83 26.08 73.81 0.11 17.08 9.31 0.90 0.02 0.10 0.00 71.00 1.59 87 F E E 86.44 16.20 10.63 26.02 119.34 -137.17 -100.02 135.56 11.12 88.87 0.01 9.90 0.75 0.06 0.00 0.01 0.00 88.92 0.36 88 N E E 69.44 7.04 19.10 27.19 125.84 -173.25 -125.05 143.23 8.61 91.38 0.00 7.33 0.54 0.03 0.00 0.00 0.00 92.04 0.05 89 Q E E 102.73 9.75 17.09 27.84 117.25 -135.23 -90.96 132.69 2.80 97.20 0.00 2.59 0.07 0.00 0.00 0.00 0.00 97.31 0.02 90 V E E 27.78 16.35 15.50 32.39 126.71 -173.59 -126.26 140.28 0.72 99.28 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.25 0.01 91 E E E 106.91 5.60 23.64 29.77 115.10 -130.57 -87.52 131.66 0.65 99.35 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.32 0.04 92 I E E 11.28 24.36 11.42 35.90 115.85 -142.90 -98.51 127.51 22.54 77.45 0.01 22.62 0.20 0.01 0.00 0.00 0.00 76.61 0.57 93 K C C 91.44 4.60 23.57 28.03 129.33 -169.67 -124.45 156.68 99.08 0.87 0.05 98.65 0.63 0.04 0.01 0.02 0.00 0.60 0.05 94 P H G 70.13 12.67 13.74 26.75 91.22 -107.13 -58.41 -32.97 7.91 0.05 92.04 0.65 0.68 5.72 3.01 89.90 0.00 0.04 0.00 95 E H G 143.08 1.80 19.18 20.91 89.64 62.52 -68.99 -17.98 6.99 0.04 92.98 0.41 0.48 5.43 3.17 90.49 0.00 0.03 0.00 96 M H G 38.71 16.11 14.05 30.56 95.14 55.32 -91.62 -5.39 7.99 0.12 91.89 1.61 1.05 4.35 3.25 89.65 0.00 0.09 0.01 97 I C T 44.99 18.35 13.63 31.66 113.33 112.26 -66.69 134.95 73.01 5.34 21.65 18.84 12.42 41.53 11.98 9.20 0.11 2.23 3.68 98 G C T 34.79 9.62 19.87 29.86 96.12 21.14 82.43 -4.02 75.89 2.61 21.51 13.36 13.41 48.63 11.03 10.55 0.10 1.40 1.51 99 H C T 85.68 8.83 19.61 29.05 95.83 104.04 -72.40 -33.07 53.49 3.35 43.16 18.46 11.72 23.61 19.53 23.00 0.18 1.73 1.77 100 Y H G 77.38 13.48 19.50 32.46 96.37 46.57 -78.37 -26.77 43.87 7.35 48.79 12.10 8.59 22.96 23.23 24.69 0.89 4.35 3.18 101 L H T 33.91 20.07 15.50 34.48 99.31 53.45 -69.99 -12.10 46.45 3.75 49.80 6.31 7.96 30.01 22.72 28.15 0.68 2.37 1.80 102 G C T 34.88 9.82 19.13 28.94 97.16 39.24 36.54 -13.32 57.93 2.35 39.72 9.31 10.11 36.95 18.09 22.72 0.21 1.31 1.31 103 E C T 96.08 7.70 18.74 26.91 98.35 70.83 -77.72 -21.26 63.33 3.94 32.72 23.53 16.59 24.34 13.76 17.64 0.10 1.88 2.16 104 F C C 74.41 14.48 14.01 27.98 101.66 60.33 -90.57 -7.76 68.24 6.57 25.18 31.99 18.41 18.84 10.80 13.28 0.09 3.28 3.32 105 S C C 54.23 10.12 15.52 26.05 105.37 63.42 -86.06 24.63 72.49 8.33 19.18 39.56 19.38 14.42 7.71 10.90 0.05 4.81 3.16 106 I C C 88.86 8.97 14.28 24.12 107.18 60.34 -90.91 69.51 73.42 12.63 13.96 49.64 14.00 9.75 5.97 7.99 0.03 7.95 4.67 107 T C C 74.42 8.22 13.74 22.94 103.45 108.24 -94.98 -1.13 81.31 11.59 7.10 60.36 13.68 6.91 3.03 4.16 0.01 7.94 3.92 108 Y C C 118.25 9.00 11.62 21.62 116.24 84.85 -102.21 129.74 85.35 11.81 2.84 54.57 26.67 4.47 1.13 1.69 0.00 6.93 4.54 109 K C C 140.25 2.89 14.43 18.86 117.71 -152.25 -99.82 134.06 91.88 7.94 0.19 68.68 23.20 0.59 0.06 0.13 0.00 6.03 1.31 110 P C C 82.93 7.95 10.64 19.94 113.64 -108.22 -67.54 145.20 87.38 11.72 0.89 78.06 7.00 1.99 0.28 0.64 0.00 8.79 3.24 111 V C C 90.11 6.34 9.75 17.80 114.78 -130.83 -95.46 132.81 85.33 13.42 1.26 70.60 10.96 3.23 0.39 0.96 0.00 9.15 4.70 112 K C C 154.22 2.29 10.86 14.98 114.61 -138.49 -94.85 127.20 84.30 14.62 1.08 73.49 7.72 2.42 0.37 0.76 0.00 10.93 4.31 113 H C C 135.83 4.21 7.94 14.10 112.37 -167.28 -101.64 116.36 91.37 8.11 0.52 89.38 1.08 1.46 0.18 0.20 0.00 5.74 1.95 114 G C C 56.36 1.95 12.44 15.34 111.21 -65.65 87.82 -121.45 99.90 0.09 0.01 99.69 0.17 0.07 0.00 0.00 0.00 0.05 0.01