# 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 119.42 4.69 10.86 17.39 118.49 -161.94 -100.54 138.40 99.90 0.08 0.02 99.82 0.08 0.04 0.01 0.00 0.00 0.04 0.01 1 S C C 78.75 3.17 9.88 14.83 117.04 -152.23 -101.04 134.94 89.09 3.51 7.40 86.11 1.09 2.88 4.91 1.57 0.00 1.79 1.65 2 I C C 109.75 5.67 8.15 15.36 109.95 -151.60 -92.43 105.59 65.72 6.94 27.34 47.36 9.38 8.66 16.19 11.51 0.02 4.31 2.57 3 E C C 130.61 3.09 11.12 15.81 109.00 86.80 -86.90 102.56 58.88 6.49 34.63 36.27 10.79 12.08 18.39 16.27 0.05 4.16 1.99 4 N C C 104.14 4.02 11.33 16.69 104.12 49.49 -88.39 49.30 58.96 4.72 36.32 36.79 9.62 12.62 18.70 17.72 0.03 2.83 1.69 5 L C C 81.85 9.64 8.84 19.18 106.73 128.08 -86.00 86.84 57.47 4.41 38.12 36.11 9.72 11.43 20.45 17.99 0.03 2.47 1.80 6 K C C 145.64 2.90 13.04 17.23 104.32 77.00 -90.16 24.44 62.92 5.41 31.66 32.37 13.52 17.66 16.04 15.08 0.10 2.86 2.37 7 S C C 71.34 4.69 12.51 18.69 118.84 79.02 -105.71 142.91 72.26 5.19 22.55 35.06 17.95 20.22 9.58 12.25 0.04 2.77 2.13 8 F C C 119.10 7.53 11.67 20.48 116.36 -145.87 -103.02 131.76 85.07 7.42 7.52 47.18 29.65 8.13 3.53 3.63 0.02 2.89 4.97 9 D C C 64.80 7.77 12.99 22.30 109.32 -135.70 -102.94 108.44 98.53 1.26 0.21 87.40 10.51 0.56 0.08 0.12 0.00 0.53 0.81 10 P C T 75.65 8.31 12.89 22.98 93.08 -160.19 -65.77 -20.05 88.39 0.41 11.20 6.45 6.26 75.21 1.40 10.22 0.00 0.24 0.21 11 F C T 121.69 6.15 14.46 21.86 96.08 58.23 -89.99 -2.38 86.63 0.78 12.59 5.54 7.11 73.49 1.78 11.22 0.00 0.48 0.38 12 A C C 47.84 9.43 11.85 22.58 110.09 96.74 -80.87 123.68 78.94 3.59 17.47 37.15 25.89 15.92 2.95 14.36 0.01 1.69 2.05 13 D C C 92.82 5.56 13.52 20.50 107.29 -130.18 -92.02 93.50 89.07 3.20 7.72 63.29 11.54 13.86 2.01 5.86 0.00 1.75 1.70 14 T C C 76.49 7.72 12.07 20.94 103.51 160.48 -92.55 9.82 90.40 3.97 5.64 47.20 14.97 28.70 1.50 3.75 0.00 2.10 1.78 15 G C C 46.33 4.72 12.99 19.13 109.04 -99.13 83.75 2.22 93.69 2.25 4.06 36.97 26.65 30.31 0.87 3.10 0.00 1.11 0.99 16 D C C 101.28 4.12 11.85 17.57 110.04 87.64 -89.62 104.84 91.84 2.11 6.05 53.65 26.39 11.80 1.69 4.26 0.00 0.94 1.27 17 D C C 94.39 5.16 11.08 17.84 110.43 117.40 -90.09 116.28 86.60 2.26 11.14 53.16 18.95 14.67 3.88 6.96 0.00 1.11 1.27 18 E C C 126.49 4.60 11.48 17.74 106.00 -148.79 -88.64 68.97 81.35 2.33 16.31 51.73 15.64 14.20 6.92 9.05 0.00 1.21 1.23 19 T C C 83.24 5.78 11.47 18.77 111.48 65.26 -89.55 125.69 78.63 2.35 19.02 49.98 14.86 14.00 7.94 10.79 0.00 1.23 1.19 20 A C C 65.21 6.56 12.57 20.50 109.43 -126.22 -81.41 134.29 76.52 2.90 20.58 48.15 16.66 12.04 8.45 11.76 0.01 1.51 1.42 21 T C C 79.83 7.16 13.47 21.79 107.49 -114.94 -88.19 97.07 75.57 3.59 20.84 49.99 13.16 12.32 6.77 14.11 0.01 2.06 1.58 22 S C C 58.77 8.45 15.53 24.71 111.95 94.92 -91.59 126.57 79.48 3.43 17.09 40.38 17.85 22.11 3.82 12.60 0.01 1.96 1.27 23 N C C 76.83 10.83 17.64 28.48 101.88 19.83 -91.77 28.11 81.81 6.15 12.04 33.82 25.22 23.81 1.62 10.10 0.01 4.29 1.14 24 Y C C 57.90 13.92 19.78 34.02 127.48 98.61 -117.74 150.55 60.16 37.75 2.09 36.79 21.22 4.13 0.46 1.61 0.00 33.94 1.85 25 I E E 10.51 22.87 18.02 41.10 117.98 -140.25 -103.83 129.87 16.87 83.08 0.05 15.37 1.06 0.09 0.01 0.03 0.00 83.12 0.32 26 H E E 47.82 11.55 25.21 37.40 117.65 -155.58 -105.32 128.84 2.53 97.47 0.01 2.37 0.10 0.01 0.00 0.00 0.00 97.47 0.06 27 I E E 15.07 22.83 17.50 40.16 120.72 -164.81 -114.19 129.39 0.86 99.14 0.00 0.82 0.01 0.00 0.00 0.00 0.00 99.15 0.01 28 R E E 83.02 9.27 24.06 33.63 127.56 -173.44 -123.16 142.27 0.37 99.63 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.01 29 I E E 46.63 16.85 16.20 33.01 118.51 -145.76 -104.12 128.85 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 30 Q E E 63.83 8.35 17.95 27.68 127.97 -174.32 -128.69 148.24 0.78 99.21 0.01 0.70 0.03 0.00 0.00 0.00 0.00 99.25 0.02 31 Q E E 104.65 6.88 13.14 21.73 115.67 -129.96 -95.35 129.39 7.37 92.58 0.05 6.69 0.41 0.06 0.01 0.02 0.00 92.57 0.24 32 R C C 101.68 8.04 9.49 19.00 121.21 -175.17 -118.39 133.88 59.53 38.39 2.08 49.61 5.81 2.74 0.27 1.87 0.00 38.67 1.02 33 N C T 136.41 0.99 10.80 11.86 98.86 -24.45 42.50 64.12 82.49 7.64 9.86 5.24 15.54 60.31 0.33 11.17 0.01 6.39 1.02 34 G C T 65.33 0.72 10.68 11.17 98.38 -42.09 73.19 -5.53 89.45 0.41 10.15 2.96 12.62 71.49 0.31 12.19 0.00 0.25 0.18 35 R C S 176.68 1.61 11.56 13.78 102.07 21.17 -95.71 -3.66 90.82 3.02 6.16 10.06 43.62 37.04 0.34 6.26 0.00 1.94 0.73 36 K C C 96.01 6.90 12.54 21.07 119.91 92.05 -96.85 141.97 60.77 39.05 0.18 51.96 5.17 1.05 0.03 0.15 0.00 40.98 0.66 37 T E E 40.10 12.21 15.24 28.73 122.43 -153.98 -112.30 138.99 10.31 89.68 0.01 9.57 0.39 0.02 0.00 0.01 0.00 89.80 0.21 38 L E E 30.24 14.04 19.87 34.90 123.13 -161.87 -114.79 138.83 1.28 98.72 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.85 0.01 39 T E E 10.86 20.15 20.15 40.53 123.95 -157.77 -113.44 137.68 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 40 T E E 22.99 14.64 25.33 40.24 122.43 -159.57 -113.98 136.96 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 41 V E E 4.72 24.67 19.71 44.80 119.80 -159.13 -113.25 127.83 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.01 42 Q E E 62.62 11.04 24.45 35.60 131.04 -173.90 -125.87 150.15 7.93 92.06 0.02 5.04 1.80 0.42 0.00 0.02 0.00 92.60 0.12 43 G C S 29.62 7.51 24.38 33.63 95.80 23.83 80.37 14.72 76.35 23.60 0.06 28.60 41.92 4.21 0.00 0.07 0.00 24.84 0.36 44 V C C 9.52 24.21 12.86 37.00 115.48 148.68 -80.50 137.00 86.20 13.69 0.11 81.00 5.03 0.22 0.03 0.07 0.00 12.19 1.46 45 P C C 34.13 10.89 17.64 30.04 112.39 -106.92 -64.56 146.37 93.28 5.22 1.50 86.17 4.34 2.69 0.29 1.35 0.00 3.72 1.43 46 E C T 143.60 3.76 15.25 20.87 92.99 -121.58 -65.44 -25.19 92.12 0.58 7.30 8.79 23.28 59.66 0.78 6.84 0.00 0.29 0.35 47 E C T 146.39 1.62 17.87 18.84 94.70 59.68 -84.05 -4.50 89.48 0.81 9.71 15.90 16.51 56.75 1.45 8.54 0.00 0.42 0.42 48 Y C C 42.52 19.64 8.79 27.05 118.17 100.09 -89.75 141.87 90.42 2.25 7.33 48.44 38.24 3.86 3.37 3.37 0.00 0.72 1.99 49 D C C 81.26 3.61 21.84 25.23 106.29 -127.06 -87.99 103.89 96.95 0.50 2.56 95.35 1.25 1.03 1.55 0.37 0.00 0.17 0.29 50 L H H 35.80 20.83 12.38 32.61 92.76 -170.42 -63.40 -33.81 3.60 0.01 96.39 1.63 0.38 1.39 96.16 0.44 0.00 0.00 0.00 51 K H H 124.28 4.58 19.88 25.70 91.45 57.32 -62.80 -40.40 0.79 0.00 99.21 0.08 0.05 0.56 98.95 0.36 0.00 0.00 0.00 52 R H H 117.15 3.97 22.44 26.21 91.96 48.88 -65.88 -41.04 0.42 0.00 99.58 0.04 0.02 0.31 99.15 0.47 0.00 0.00 0.00 53 I H H 5.56 23.13 17.48 40.77 91.48 49.44 -64.22 -43.97 0.21 0.00 99.79 0.02 0.01 0.16 99.60 0.22 0.00 0.00 0.00 54 L H H 14.65 20.48 19.18 39.34 91.29 50.74 -62.92 -42.09 0.11 0.00 99.89 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 55 K H H 112.46 2.91 25.09 27.26 91.63 50.94 -63.65 -42.32 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 56 V H H 32.04 9.80 21.46 32.62 91.52 49.34 -64.30 -42.90 0.11 0.00 99.89 0.00 0.00 0.09 99.87 0.04 0.00 0.00 0.00 57 L H H 2.81 25.78 15.67 41.96 91.36 49.62 -63.92 -42.86 0.24 0.00 99.76 0.01 0.01 0.17 99.73 0.07 0.00 0.00 0.00 58 K H H 83.16 13.27 18.20 31.02 91.92 50.89 -63.19 -41.22 0.57 0.00 99.43 0.04 0.02 0.42 99.15 0.37 0.00 0.00 0.00 59 K H H 147.15 1.40 21.26 21.30 93.07 47.00 -67.09 -39.44 1.39 0.00 98.61 0.05 0.04 1.27 98.09 0.54 0.00 0.00 0.00 60 D H H 68.46 9.76 18.19 28.25 97.37 40.78 -79.16 -36.36 4.27 0.00 95.72 0.08 0.18 4.16 95.25 0.33 0.01 0.00 0.00 61 F H H 28.08 19.33 14.08 33.19 101.63 27.45 -106.29 -4.97 23.36 0.23 76.41 1.98 5.32 16.26 75.48 0.60 0.14 0.05 0.18 62 A C C 76.54 4.05 21.73 26.32 94.95 -128.18 59.89 38.57 98.31 0.86 0.82 50.06 19.86 28.53 0.31 0.43 0.00 0.54 0.27 63 C C C 22.97 17.99 13.70 31.50 133.08 113.11 -127.58 161.64 93.61 5.92 0.47 48.10 39.39 6.53 0.09 0.44 0.00 4.45 1.00 64 N C C 94.34 4.52 24.05 28.77 110.28 -115.95 -87.13 120.74 73.20 26.48 0.32 61.39 7.62 2.67 0.05 0.32 0.00 26.91 1.03 65 G E E 15.57 22.35 11.86 32.36 133.82 164.70 -123.02 163.55 32.08 67.87 0.05 27.12 3.79 0.25 0.01 0.05 0.00 68.28 0.51 66 N E E 77.01 5.11 25.57 31.32 131.93 -156.55 -131.61 153.35 3.52 96.47 0.01 3.23 0.19 0.01 0.00 0.00 0.00 96.45 0.11 67 I E E 61.16 18.55 14.65 32.33 117.36 -125.77 -100.16 129.90 0.86 99.14 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.13 0.03 68 V E E 56.79 8.11 18.01 27.63 124.74 -173.60 -122.60 136.63 0.86 99.14 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.16 0.02 69 K E E 138.77 4.61 14.84 21.58 113.65 -133.00 -91.74 126.68 3.79 96.21 0.01 3.26 0.25 0.02 0.00 0.00 0.00 96.40 0.08 70 D E E 44.70 10.68 9.49 21.49 113.64 -171.96 -116.15 115.62 27.48 72.49 0.03 25.25 1.12 0.10 0.00 0.03 0.00 73.13 0.36 71 P C T 121.82 1.03 12.01 13.42 92.48 -144.66 -63.88 -26.85 97.90 0.47 1.63 0.43 5.29 91.93 0.03 1.93 0.00 0.33 0.06 72 E C T 155.73 0.84 13.14 13.25 97.26 45.12 -79.62 -33.08 98.72 0.06 1.22 0.25 4.40 93.87 0.02 1.41 0.00 0.03 0.01 73 M C T 82.07 8.28 11.19 20.73 101.60 25.55 -105.61 -13.93 98.55 0.41 1.04 0.99 6.22 91.13 0.03 1.29 0.00 0.29 0.06 74 G E E 24.93 4.61 17.31 23.54 123.24 -129.66 82.35 -160.88 25.47 74.44 0.08 15.34 4.41 4.74 0.01 0.08 0.00 75.08 0.33 75 E E E 67.40 11.50 16.60 28.95 116.34 -11.97 -83.53 134.81 3.36 96.63 0.01 2.75 0.29 0.05 0.00 0.00 0.00 96.86 0.05 76 I E E 29.32 14.43 20.30 35.65 127.22 -171.64 -124.60 140.89 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 77 I E E 9.63 21.96 19.74 42.05 119.01 -145.32 -107.97 129.48 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 78 Q E E 41.16 12.84 25.92 39.13 119.68 -161.79 -110.36 129.31 0.43 99.57 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.61 0.01 79 L E E 8.47 23.47 16.95 40.78 120.10 -161.32 -110.39 135.00 6.40 93.60 0.00 6.23 0.12 0.00 0.00 0.00 0.00 93.48 0.16 80 Q C C 69.13 9.66 22.30 32.17 127.71 -168.81 -120.45 152.32 65.87 33.74 0.39 62.27 2.19 0.39 0.10 0.23 0.00 34.24 0.59 81 G H G 34.40 5.78 20.41 26.95 121.28 16.65 83.63 -152.79 41.38 0.87 57.75 6.08 9.49 25.90 6.17 51.55 0.01 0.52 0.27 82 D H G 106.60 3.43 20.96 24.64 96.24 -19.91 -79.99 3.92 37.69 0.38 61.93 5.98 5.71 25.06 9.11 53.74 0.01 0.21 0.18 83 Q H G 25.04 19.28 15.28 34.62 95.29 85.35 -88.36 -4.07 28.23 0.50 71.27 14.47 3.71 9.73 20.43 51.20 0.00 0.29 0.17 84 R H H 65.92 19.37 16.50 34.53 92.37 89.52 -59.01 -43.45 1.96 0.01 98.03 0.80 0.22 0.74 97.55 0.68 0.00 0.00 0.00 85 A H H 63.95 3.77 23.89 27.53 91.96 51.60 -64.40 -41.09 0.49 0.00 99.51 0.07 0.03 0.29 99.24 0.37 0.00 0.00 0.00 86 K H H 89.23 7.97 23.76 31.81 91.78 49.17 -65.82 -40.35 0.34 0.00 99.66 0.05 0.02 0.21 99.35 0.36 0.00 0.00 0.00 87 V H H 1.73 26.49 18.16 45.16 91.25 49.53 -63.75 -43.70 0.13 0.00 99.87 0.02 0.01 0.07 99.84 0.05 0.00 0.00 0.00 88 C H H 19.81 17.59 21.19 38.37 91.22 51.33 -62.28 -42.82 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 89 E H H 102.81 2.76 25.90 27.60 91.54 50.42 -63.86 -42.06 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 90 F H H 25.39 13.30 20.63 35.12 91.51 49.37 -63.63 -43.44 0.32 0.00 99.68 0.02 0.02 0.23 99.66 0.07 0.00 0.00 0.00 91 M H H 3.91 24.90 16.32 41.55 91.85 46.67 -65.33 -42.69 1.13 0.02 98.85 0.08 0.09 0.97 98.72 0.11 0.02 0.01 0.00 92 I H H 53.26 12.57 17.19 30.14 97.28 39.14 -75.92 -41.96 5.58 0.05 94.37 0.15 0.37 5.62 93.40 0.23 0.19 0.01 0.03 93 S H H 83.16 1.39 19.21 19.35 98.77 34.65 -81.06 -39.13 24.53 0.08 75.39 0.29 1.16 23.63 74.23 0.47 0.14 0.02 0.06 94 Q C T 102.65 5.49 17.25 23.67 101.82 30.44 -92.40 -36.01 67.59 0.09 32.32 0.45 3.74 61.67 33.41 0.62 0.02 0.02 0.08 95 L C T 42.76 15.27 13.21 28.42 101.16 26.46 -104.65 -11.73 74.27 0.51 25.22 4.58 31.90 35.89 25.98 1.01 0.05 0.13 0.46 96 G C C 52.79 2.23 21.33 22.99 95.59 -119.52 74.34 20.93 99.80 0.12 0.09 92.21 3.88 3.73 0.02 0.05 0.00 0.06 0.05 97 L C C 18.73 21.19 8.96 29.23 118.18 159.43 -81.39 141.86 98.77 1.13 0.09 96.57 2.12 0.12 0.04 0.03 0.00 0.45 0.66 98 Q C C 105.43 2.64 22.44 23.80 113.51 -114.75 -76.87 140.94 98.28 1.58 0.14 98.15 0.44 0.09 0.03 0.05 0.00 0.73 0.51 99 K H G 109.34 13.69 11.89 25.20 92.37 -124.76 -59.27 -31.69 9.66 0.31 90.02 1.30 1.26 5.81 0.70 90.68 0.00 0.25 0.01 100 K H G 157.78 1.43 18.91 19.87 90.75 63.21 -70.46 -16.65 9.71 0.30 89.99 0.63 0.98 6.70 0.58 90.85 0.00 0.24 0.01 101 N H G 60.73 11.19 16.01 28.05 96.79 55.55 -96.21 -1.46 9.54 0.53 89.93 1.14 1.26 5.75 0.59 90.80 0.00 0.44 0.01 102 I E E 13.80 23.94 10.50 33.85 119.11 90.76 -103.44 130.22 27.16 72.65 0.19 24.69 2.62 0.18 0.07 0.12 0.00 70.70 1.62 103 K E E 103.50 5.62 24.08 30.20 120.46 -168.41 -114.42 131.03 8.80 91.11 0.09 8.74 0.28 0.05 0.04 0.04 0.00 90.17 0.68 104 I E E 58.66 18.34 13.64 30.91 118.60 -153.25 -102.41 128.53 17.85 81.87 0.28 16.46 1.18 0.30 0.10 0.17 0.00 80.89 0.90 105 H E E 96.40 7.77 15.47 24.38 119.74 -174.85 -113.43 137.70 44.85 54.62 0.52 35.25 6.17 2.55 0.13 0.43 0.00 54.36 1.10 106 G C C 44.31 4.58 15.07 20.85 121.40 0.04 116.05 -173.77 71.95 27.82 0.23 65.14 3.21 1.76 0.05 0.19 0.00 28.17 1.48 107 F C C 115.88 9.18 14.23 24.12 114.44 -45.70 -97.09 125.10 99.56 0.43 0.01 99.59 0.08 0.02 0.00 0.00 0.00 0.28 0.02