# 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 A C C 55.50 8.11 17.70 26.34 113.90 -133.55 -87.76 136.66 99.89 0.11 0.00 99.84 0.07 0.01 0.00 0.00 0.00 0.07 0.00 1 S C C 54.18 10.86 14.84 26.23 124.12 -149.27 -111.66 147.05 70.32 29.56 0.12 67.18 1.55 0.42 0.02 0.07 0.00 29.94 0.81 2 Y E E 54.49 14.50 14.71 29.95 127.47 -165.67 -124.08 143.96 17.57 82.36 0.07 14.75 2.15 0.23 0.01 0.06 0.00 82.40 0.39 3 K E E 109.94 6.45 21.46 28.74 117.52 -136.24 -100.00 130.33 4.47 95.52 0.01 3.97 0.34 0.02 0.00 0.01 0.00 95.60 0.07 4 V E E 8.28 23.00 14.08 37.29 127.14 -172.54 -124.75 142.16 1.56 98.44 0.00 1.50 0.03 0.00 0.00 0.00 0.00 98.46 0.01 5 K E E 85.62 7.17 25.26 32.90 116.74 -145.06 -103.79 127.42 0.42 99.57 0.00 0.42 0.00 0.00 0.00 0.00 0.00 99.57 0.01 6 L E E 4.83 24.69 15.19 40.71 119.98 -163.97 -110.77 129.97 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 7 V E E 52.30 7.69 23.34 32.06 114.47 -150.98 -103.66 121.42 1.69 98.31 0.00 1.43 0.12 0.01 0.00 0.00 0.00 98.41 0.04 8 T E E 15.19 17.44 12.13 29.89 132.60 168.54 -125.30 170.16 22.05 77.92 0.02 19.41 1.53 0.15 0.00 0.02 0.00 78.56 0.34 9 P C T 98.06 4.67 14.91 21.26 90.44 -96.58 -62.83 -24.33 99.62 0.18 0.20 0.31 8.81 90.54 0.00 0.20 0.00 0.12 0.01 10 D C T 111.01 1.98 14.07 16.47 95.17 49.78 -92.71 -1.06 99.66 0.16 0.18 0.37 8.77 90.56 0.00 0.18 0.00 0.11 0.02 11 G E E 29.49 3.31 16.68 21.12 133.71 -90.39 122.78 -172.28 23.57 76.35 0.08 14.88 8.75 0.77 0.01 0.08 0.00 75.04 0.47 12 T E E 86.41 7.09 13.52 22.25 118.49 -36.80 -90.32 138.84 13.92 86.06 0.01 12.06 0.76 0.06 0.00 0.01 0.00 87.03 0.08 13 Q E E 67.69 10.73 15.55 27.53 129.23 -173.48 -131.75 144.11 1.20 98.80 0.00 1.04 0.04 0.00 0.00 0.00 0.00 98.90 0.01 14 E E E 109.27 8.59 17.29 27.55 123.77 -150.37 -117.51 136.64 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 15 F E E 33.42 16.62 15.72 32.95 131.58 -176.61 -133.76 148.31 0.90 99.10 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.14 0.01 16 E E E 119.77 4.84 22.91 28.72 115.35 -128.37 -89.57 128.67 5.75 94.25 0.00 5.16 0.32 0.01 0.00 0.00 0.00 94.41 0.10 17 C C E 9.74 22.72 11.82 34.10 130.98 176.04 -129.95 152.31 50.61 49.39 0.01 48.76 1.45 0.02 0.00 0.00 0.00 49.14 0.62 18 P C C 53.19 5.60 21.28 27.52 115.23 -102.16 -67.02 151.66 87.06 12.86 0.08 84.81 2.11 0.36 0.02 0.07 0.00 11.50 1.14 19 S C T 56.18 12.99 14.14 27.21 92.42 -112.65 -64.33 -24.32 99.30 0.35 0.34 0.64 7.49 91.28 0.03 0.26 0.00 0.21 0.09 20 D C T 112.23 2.31 19.80 22.28 94.88 53.86 -90.47 1.80 99.39 0.33 0.27 1.12 6.71 91.61 0.02 0.23 0.00 0.25 0.05 21 V C S 39.25 12.80 16.70 30.61 122.85 91.88 -103.95 143.47 94.95 4.74 0.31 46.74 48.74 0.43 0.14 0.14 0.00 1.89 1.92 22 Y C C 56.82 13.17 23.76 37.02 116.89 -117.21 -79.42 144.78 65.32 34.17 0.50 64.84 0.91 0.06 0.51 0.04 0.00 3.90 29.74 23 I H H 1.99 27.25 20.79 49.11 91.41 -121.81 -59.74 -39.87 1.56 0.02 98.42 0.39 0.19 0.88 98.15 0.36 0.00 0.01 0.01 24 L H H 15.50 21.94 22.32 43.32 91.10 53.40 -62.59 -41.79 0.96 0.02 99.02 0.30 0.11 0.52 98.74 0.32 0.00 0.01 0.00 25 D H H 66.22 4.53 26.77 31.37 91.57 49.30 -64.64 -41.13 0.62 0.03 99.35 0.30 0.09 0.26 98.90 0.43 0.00 0.02 0.00 26 H H H 25.43 13.79 20.95 35.58 91.90 50.07 -64.54 -42.59 0.47 0.02 99.51 0.15 0.08 0.23 99.36 0.17 0.00 0.01 0.00 27 A H H 2.65 23.96 14.43 38.94 91.21 51.52 -63.03 -43.12 0.69 0.05 99.26 0.22 0.09 0.39 99.06 0.20 0.00 0.03 0.01 28 E H H 102.63 7.83 17.97 26.66 91.86 50.56 -63.77 -40.55 0.92 0.02 99.06 0.14 0.06 0.66 98.74 0.38 0.00 0.01 0.00 29 E H H 139.22 1.91 18.20 20.13 91.01 52.89 -66.12 -29.01 5.04 0.01 94.95 0.14 0.15 4.90 94.35 0.44 0.01 0.00 0.00 30 V C T 64.85 10.11 13.53 24.72 94.54 49.61 -90.97 -0.76 64.68 0.03 35.29 0.24 0.79 63.51 34.71 0.70 0.00 0.01 0.02 31 G C T 58.76 1.39 19.57 19.84 95.99 -108.45 81.76 15.22 99.86 0.01 0.14 1.48 0.83 97.62 0.05 0.02 0.00 0.00 0.00 32 I C C 30.61 19.16 10.57 29.23 115.03 146.46 -93.87 129.34 98.39 1.55 0.06 97.18 1.37 0.10 0.02 0.02 0.00 0.90 0.41 33 D C C 104.63 2.93 23.71 26.83 108.60 -138.17 -88.97 109.87 93.03 6.89 0.08 92.73 1.22 0.20 0.02 0.04 0.00 3.85 1.94 34 L C C 16.38 24.29 12.63 36.39 119.54 -170.96 -105.91 129.92 94.67 5.28 0.05 93.24 2.15 0.11 0.01 0.03 0.00 2.96 1.50 35 P C C 58.32 9.35 23.66 33.31 111.90 -124.09 -70.44 139.70 95.59 4.24 0.17 80.36 14.12 1.23 0.03 0.16 0.00 2.83 1.27 36 Y C C 68.44 18.39 17.77 34.93 134.58 121.52 -138.87 151.85 78.21 20.99 0.80 53.45 22.71 2.04 0.29 0.55 0.00 9.49 11.48 37 S C C 47.48 11.14 22.06 32.89 115.17 -139.46 -96.48 143.50 80.02 18.75 1.23 65.21 11.91 1.96 0.48 0.84 0.00 8.80 10.80 38 C C C 22.15 20.38 13.79 33.03 101.07 -59.21 -91.48 8.05 87.06 11.18 1.76 77.49 6.59 1.94 0.70 1.06 0.00 5.19 7.02 39 R C C 151.96 5.59 20.63 27.40 96.37 -138.56 -28.16 -5.20 86.22 9.36 4.41 38.57 33.50 13.85 0.78 3.90 0.02 3.81 5.56 40 A C S 58.10 8.36 18.38 27.13 96.40 53.41 -86.16 -4.00 89.80 3.56 6.64 9.06 40.65 39.23 0.59 6.70 0.01 1.71 2.04 41 G C S 33.75 13.29 15.64 28.45 97.07 -107.38 81.13 7.83 92.18 1.58 6.24 11.31 43.20 36.29 0.42 7.12 0.00 0.79 0.87 42 S C S 63.49 6.11 21.19 27.89 97.68 114.75 -89.98 -14.88 88.98 6.36 4.66 28.52 42.19 17.33 0.52 4.70 0.01 2.59 4.13 43 C C C 24.87 18.20 15.61 33.29 127.53 47.13 -122.95 143.20 82.87 11.98 5.15 44.53 30.53 7.14 0.93 4.39 0.01 4.48 8.00 44 S C S 56.11 10.95 22.26 33.28 95.43 -151.61 -79.12 -14.02 83.32 6.41 10.27 23.72 38.42 20.45 0.69 10.72 0.01 3.96 2.04 45 S C S 42.94 12.03 24.58 36.78 97.54 67.67 -91.07 1.21 76.01 12.08 11.92 26.38 26.68 23.03 0.69 12.01 0.01 8.49 2.71 46 C C C 5.65 24.31 20.96 44.82 114.06 108.86 -96.28 130.48 63.65 33.05 3.30 46.68 12.89 4.04 0.37 3.24 0.00 30.10 2.67 47 A E E 12.84 17.94 27.09 44.72 122.72 -143.24 -99.99 147.28 18.23 81.64 0.13 15.91 2.17 0.25 0.05 0.10 0.00 79.58 1.95 48 G E E 2.60 24.57 21.79 45.66 141.53 164.37 -148.29 168.78 3.24 96.75 0.01 2.80 0.31 0.02 0.00 0.00 0.00 96.77 0.09 49 K E E 82.94 9.17 27.38 37.70 123.76 -119.66 -117.69 138.11 0.42 99.58 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.01 50 V E E 23.90 21.72 15.02 36.67 110.15 -117.90 -77.92 124.43 1.46 98.54 0.00 1.48 0.02 0.00 0.00 0.00 0.00 98.38 0.11 51 V E E 70.67 7.15 21.02 29.04 101.29 175.91 -99.99 -24.01 11.68 88.23 0.09 7.34 3.07 0.84 0.01 0.09 0.00 88.44 0.22 52 G C S 36.89 3.68 22.26 26.39 141.89 -1.78 -165.15 165.14 57.98 41.88 0.14 5.16 44.08 7.22 0.00 0.15 0.00 43.07 0.33 53 G C S 39.32 4.13 19.68 24.68 127.31 25.78 98.28 -164.95 81.59 18.27 0.14 20.77 56.56 2.77 0.01 0.15 0.00 19.27 0.47 54 E C C 125.70 3.83 21.76 26.84 123.76 -56.89 -115.73 141.89 72.49 27.22 0.29 67.77 3.29 0.74 0.07 0.26 0.00 25.38 2.48 55 V E C 17.54 23.32 11.37 34.18 121.54 -156.14 -112.70 134.82 47.08 52.52 0.40 42.94 2.23 0.45 0.19 0.25 0.00 39.27 14.68 56 D C C 71.76 6.32 23.12 29.70 111.47 -151.90 -102.60 112.30 66.30 33.15 0.55 59.88 3.86 0.89 0.18 0.40 0.00 30.15 4.64 57 Q C C 60.47 17.69 13.05 30.01 99.31 -168.36 -86.27 1.28 81.99 9.31 8.71 54.11 11.72 15.85 1.57 7.67 0.00 6.84 2.23 58 S C T 74.02 4.17 17.57 22.79 96.01 94.52 -73.58 -19.87 84.45 3.19 12.36 25.74 23.63 35.47 1.71 10.38 0.01 1.70 1.36 59 D C T 85.60 6.30 16.33 23.45 97.74 53.67 -89.34 0.86 82.84 1.96 15.20 22.15 26.55 34.32 2.07 12.83 0.01 0.92 1.16 60 G C C 31.10 13.81 14.25 27.54 99.30 -122.01 74.45 8.09 76.99 2.01 21.00 30.43 23.07 22.60 1.89 20.03 0.00 0.95 1.03 61 S C T 56.34 8.41 18.60 27.60 98.06 117.15 -79.15 -8.25 73.74 3.61 22.65 26.18 20.56 27.01 1.72 21.24 0.01 1.88 1.40 62 F C C 77.42 13.09 18.90 31.70 99.97 59.94 -92.28 -4.66 72.07 7.86 20.07 30.29 19.55 23.28 1.92 17.64 0.03 3.82 3.47 63 L C C 19.80 22.39 11.05 32.43 117.86 93.58 -91.33 136.88 93.88 5.26 0.86 65.39 27.49 0.73 0.41 0.39 0.00 1.41 4.19 64 D C C 74.01 4.45 19.68 24.17 120.71 -131.22 -83.62 162.67 99.67 0.23 0.09 98.71 0.99 0.05 0.06 0.01 0.00 0.07 0.12 65 D H H 105.89 3.91 13.92 19.79 92.18 -104.95 -59.64 -36.93 1.72 0.00 98.28 0.22 0.24 1.07 98.05 0.41 0.00 0.00 0.00 66 E H H 127.92 1.51 16.92 17.62 91.97 52.77 -65.34 -39.44 0.92 0.00 99.08 0.09 0.08 0.68 98.59 0.56 0.00 0.00 0.00 67 Q H H 37.22 13.56 12.86 27.20 92.53 49.97 -66.51 -39.84 0.62 0.01 99.37 0.12 0.05 0.41 98.49 0.91 0.00 0.01 0.00 68 I H H 39.19 16.92 12.00 28.43 92.23 51.91 -64.27 -41.52 0.64 0.01 99.36 0.11 0.04 0.43 98.81 0.60 0.00 0.00 0.00 69 E H H 148.00 1.42 18.33 19.27 91.10 53.54 -66.00 -28.27 8.38 0.01 91.61 0.19 0.21 8.10 90.86 0.61 0.01 0.00 0.01 70 A C T 65.47 4.29 17.27 22.33 92.26 56.13 -82.10 -8.07 76.35 0.01 23.64 0.24 0.72 75.06 23.43 0.53 0.00 0.00 0.01 71 G C T 25.32 9.74 18.56 29.50 99.15 -103.48 90.98 8.99 98.93 0.20 0.87 2.06 2.39 94.58 0.67 0.12 0.00 0.11 0.07 72 F C C 29.76 18.66 18.76 37.40 117.72 142.78 -84.45 139.72 58.27 41.71 0.02 56.31 1.72 0.10 0.01 0.02 0.00 40.11 1.74 73 V E E 15.73 19.72 24.62 43.70 120.75 -161.37 -118.79 130.97 15.86 84.11 0.03 14.69 0.86 0.08 0.01 0.02 0.00 79.59 4.76 74 L E E 10.34 22.86 24.96 47.40 110.23 -120.30 -75.70 125.27 24.94 74.99 0.07 24.45 0.63 0.09 0.02 0.04 0.00 72.54 2.22 75 T E E 11.58 22.49 25.68 47.39 99.16 -172.46 -92.62 -24.28 47.74 48.07 4.19 27.43 17.60 3.68 0.52 3.71 0.00 46.34 0.71 76 C E E 9.36 21.93 25.64 46.32 137.26 16.24 -144.51 153.72 35.53 60.36 4.11 11.91 20.61 4.65 0.46 3.39 0.01 58.36 0.62 77 V E E 33.75 17.72 26.29 42.92 126.93 -144.26 -122.28 137.10 17.93 77.94 4.14 14.26 3.40 1.50 1.20 2.73 0.01 75.64 1.27 78 A E E 6.73 23.01 20.58 43.36 132.90 -166.96 -136.04 148.45 18.28 81.52 0.20 17.36 1.05 0.12 0.09 0.11 0.00 78.47 2.80 79 Y E E 94.73 10.20 26.27 36.66 116.69 -148.68 -111.34 121.73 38.17 61.82 0.02 35.81 1.78 0.05 0.00 0.01 0.00 61.22 1.12 80 P C C 16.21 23.19 12.84 35.70 113.76 -124.08 -70.29 141.28 51.24 48.63 0.13 47.14 2.86 0.33 0.03 0.12 0.00 46.15 3.38 81 T C S 90.33 3.96 22.01 26.42 98.82 -168.92 -99.89 -10.02 91.07 8.42 0.51 31.82 57.00 2.83 0.06 0.49 0.00 6.47 1.32 82 S C S 43.61 5.22 21.15 26.99 139.70 24.40 -146.76 169.80 93.08 6.71 0.21 6.43 84.71 2.12 0.01 0.16 0.00 6.26 0.31 83 D C C 90.43 5.68 21.58 28.07 111.93 -74.57 -67.25 135.94 82.75 17.02 0.23 71.34 8.74 0.96 0.02 0.29 0.00 18.24 0.41 84 V E E 11.27 23.85 13.72 37.57 127.24 -167.66 -125.53 140.77 14.08 85.90 0.02 13.76 0.40 0.03 0.00 0.01 0.00 85.37 0.42 85 V E E 48.72 8.84 26.49 36.26 118.06 -155.89 -110.74 127.22 1.47 98.53 0.00 1.47 0.03 0.00 0.00 0.00 0.00 98.43 0.06 86 I E E 8.91 24.48 17.24 42.14 117.90 -162.36 -109.07 125.46 1.48 98.51 0.01 1.46 0.03 0.00 0.00 0.00 0.00 98.45 0.04 87 E E E 70.27 9.62 25.74 35.54 120.33 -168.03 -110.90 130.42 7.98 91.95 0.07 7.67 0.24 0.03 0.03 0.02 0.00 91.77 0.23 88 T E E 23.96 20.86 16.91 36.83 118.81 -160.19 -106.11 141.66 47.78 51.11 1.11 42.89 2.98 0.80 0.41 0.56 0.00 51.47 0.89 89 H C C 57.28 13.37 17.69 31.26 112.33 -130.18 -85.23 131.55 86.65 9.22 4.13 64.68 18.08 3.90 2.16 1.79 0.00 8.28 1.11 90 K C C 97.63 5.99 19.71 26.05 113.26 -117.27 -82.92 139.05 88.14 1.68 10.18 75.38 9.08 3.62 8.31 2.03 0.00 1.01 0.56 91 E H H 88.10 12.32 12.20 24.75 93.68 -121.69 -60.90 -36.56 23.26 0.42 76.32 9.16 3.98 9.22 53.66 23.59 0.02 0.22 0.16 92 E H H 134.98 1.83 15.61 17.58 92.82 57.15 -66.22 -32.68 18.96 0.38 80.66 5.64 2.76 9.22 57.35 24.66 0.03 0.22 0.13 93 D H H 80.80 5.16 13.53 20.09 94.74 52.86 -74.40 -25.22 18.27 0.54 81.19 6.54 2.72 7.86 57.96 24.39 0.03 0.32 0.17 94 L H H 49.32 14.91 9.42 23.66 96.50 56.23 -76.45 -19.78 28.98 1.26 69.76 12.17 6.01 11.94 57.12 11.43 0.11 0.67 0.55 95 T C H 88.06 4.40 11.92 17.82 101.30 58.38 -87.56 -2.85 54.79 1.51 43.70 34.92 2.71 17.39 40.22 3.18 0.01 0.65 0.93 96 A C C 75.33 3.66 12.86 17.86 105.98 98.56 -80.37 82.10 99.87 0.03 0.10 99.50 0.14 0.26 0.08 0.00 0.00 0.01 0.00