# 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 K C C 136.79 3.27 15.92 20.38 114.72 -139.21 -90.73 133.97 99.90 0.10 0.00 99.90 0.04 0.01 0.00 0.00 0.00 0.05 0.00 1 I C C 92.85 9.96 10.28 21.07 118.68 -140.41 -97.25 134.66 82.63 17.20 0.17 82.12 0.48 0.35 0.04 0.08 0.00 16.24 0.69 2 R C E 111.75 6.95 14.33 22.82 122.55 -165.52 -112.11 139.55 51.79 47.92 0.28 45.00 4.67 0.98 0.06 0.24 0.00 48.36 0.70 3 T E E 74.75 8.49 15.63 25.44 121.20 -148.00 -109.26 135.62 31.53 68.25 0.21 27.30 3.19 0.47 0.03 0.17 0.00 68.34 0.49 4 L E E 32.66 16.03 14.90 31.54 126.77 -172.76 -125.23 141.91 14.13 85.77 0.10 12.84 0.97 0.15 0.03 0.06 0.00 85.51 0.43 5 Q E E 94.72 7.18 22.12 30.08 122.42 -149.62 -110.08 136.74 8.07 91.88 0.05 7.12 0.64 0.08 0.01 0.03 0.00 91.93 0.19 6 G E E 9.76 18.15 16.18 34.34 142.52 149.20 -158.26 173.37 3.43 96.55 0.02 2.65 0.46 0.05 0.00 0.01 0.00 96.79 0.03 7 R E E 113.60 5.77 24.28 30.83 124.48 -102.52 -119.68 141.44 1.32 98.67 0.01 1.12 0.07 0.01 0.00 0.00 0.00 98.77 0.03 8 V E E 29.25 20.48 13.05 33.38 109.88 -116.72 -76.22 126.36 1.63 98.36 0.01 1.46 0.06 0.01 0.00 0.00 0.00 98.40 0.06 9 V E E 71.25 6.32 20.03 27.28 102.76 176.07 -100.18 -23.40 6.34 93.60 0.06 4.80 1.32 0.13 0.01 0.03 0.00 93.53 0.17 10 S E E 53.16 6.61 18.15 25.82 135.22 -0.47 -147.90 148.56 21.40 78.40 0.20 14.09 6.62 0.76 0.04 0.14 0.00 77.97 0.37 11 D C C 72.51 11.36 12.28 24.09 116.80 -168.03 -123.61 112.78 59.89 39.62 0.49 47.12 9.08 1.77 0.09 0.41 0.00 40.95 0.57 12 K C S 140.23 3.26 14.67 18.96 103.33 163.30 -92.01 8.88 75.87 22.63 1.50 27.48 34.87 13.79 0.19 1.42 0.00 21.00 1.25 13 M C C 93.39 6.18 11.14 18.88 120.62 106.29 -99.68 156.00 76.56 20.94 2.49 32.39 29.46 15.85 0.43 2.26 0.01 15.30 4.30 14 E C T 153.74 1.63 14.79 16.64 97.85 -101.77 -66.86 -25.35 97.73 0.81 1.46 6.53 42.34 49.03 0.14 1.23 0.00 0.51 0.22 15 K C T 121.15 6.39 14.82 21.99 100.36 16.08 -100.34 3.33 97.73 1.30 0.97 4.13 43.55 50.28 0.06 0.83 0.00 0.99 0.17 16 S E E 24.38 11.38 16.21 29.17 136.64 52.24 -141.31 155.82 29.72 70.04 0.24 21.03 8.11 1.30 0.04 0.20 0.00 68.42 0.90 17 I E E 16.48 17.67 16.67 35.45 124.95 -148.04 -119.77 138.95 5.72 94.27 0.00 5.11 0.21 0.01 0.00 0.00 0.00 94.59 0.08 18 V E E 32.70 10.63 23.37 35.46 118.68 -151.72 -109.34 128.56 0.53 99.47 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 19 V E E 8.14 21.48 17.52 39.54 121.29 -167.09 -114.92 131.28 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 20 A E E 24.63 10.12 23.23 34.72 118.55 -156.62 -105.75 131.40 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 21 I E E 16.61 18.45 16.44 35.58 124.06 -171.01 -121.73 134.87 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.77 0.00 22 E E E 81.49 8.27 20.01 29.08 117.31 -143.62 -98.92 130.17 1.07 98.93 0.00 0.91 0.04 0.00 0.00 0.00 0.00 99.04 0.01 23 R E E 66.28 12.56 15.06 28.52 131.77 169.32 -133.07 152.12 2.08 97.91 0.00 1.84 0.07 0.01 0.00 0.00 0.00 98.07 0.02 24 F E E 106.20 7.08 16.58 24.90 116.12 -126.52 -94.87 131.39 1.80 98.20 0.00 1.58 0.06 0.00 0.00 0.00 0.00 98.33 0.03 25 V E E 41.37 11.08 13.59 26.39 127.25 -175.30 -127.61 145.04 1.19 98.80 0.00 1.01 0.06 0.00 0.00 0.00 0.00 98.91 0.02 26 K E E 121.00 4.03 14.53 20.07 114.90 -125.09 -90.29 129.24 2.48 97.51 0.01 2.25 0.13 0.01 0.00 0.00 0.00 97.32 0.28 27 H C C 48.18 11.12 7.83 20.36 110.24 -138.45 -88.41 119.09 57.66 42.29 0.05 56.27 0.70 0.10 0.01 0.03 0.00 42.30 0.59 28 P C T 109.83 1.42 11.59 13.65 92.90 -147.73 -64.79 -27.24 97.81 0.27 1.91 0.55 3.18 94.13 0.08 1.81 0.00 0.18 0.06 29 I C T 134.52 1.18 10.93 12.39 98.07 47.50 -77.17 -39.01 98.12 0.19 1.70 0.27 2.60 95.40 0.04 1.52 0.00 0.11 0.06 30 Y C T 139.10 2.66 10.16 14.04 101.35 24.49 -105.01 -10.75 98.57 0.16 1.27 0.48 2.36 95.87 0.05 1.11 0.00 0.09 0.04 31 G C T 53.59 2.38 10.86 14.76 96.04 -125.56 75.31 10.18 98.90 0.81 0.30 46.32 5.42 47.13 0.06 0.20 0.00 0.77 0.10 32 K C C 110.48 3.07 11.87 16.71 124.85 125.26 -109.24 151.29 56.81 43.16 0.02 53.14 2.08 0.12 0.00 0.02 0.00 44.25 0.39 33 F E E 119.99 7.18 11.08 19.99 117.61 -124.81 -95.57 134.82 0.92 99.08 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.10 0.05 34 I E E 63.32 8.33 13.08 23.48 123.99 -168.70 -121.00 139.14 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 35 K E E 123.05 6.63 13.83 22.45 119.19 -146.50 -102.49 134.18 0.28 99.72 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 36 R E E 92.37 8.79 14.20 24.60 128.77 -177.40 -130.80 146.22 0.57 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.48 0.00 37 T E E 73.47 8.35 15.31 25.12 122.42 -145.02 -111.83 138.47 1.38 98.62 0.00 1.25 0.03 0.00 0.00 0.00 0.00 98.72 0.01 38 T E E 34.44 13.22 14.92 29.25 128.13 -174.31 -126.96 145.89 1.60 98.40 0.00 1.53 0.04 0.00 0.00 0.00 0.00 98.39 0.03 39 K E E 108.81 7.81 19.77 28.69 119.48 -141.02 -105.94 131.72 3.33 96.67 0.00 3.12 0.17 0.01 0.00 0.00 0.00 96.65 0.05 40 L E E 16.25 20.65 15.92 36.68 124.37 -169.53 -118.55 134.90 5.13 94.87 0.00 4.97 0.16 0.01 0.00 0.00 0.00 94.75 0.12 41 H E E 73.36 9.40 24.83 34.69 117.99 -145.73 -96.80 133.86 6.73 93.27 0.00 6.55 0.21 0.01 0.00 0.00 0.00 92.94 0.28 42 V E E 6.99 24.16 16.73 41.14 128.32 -172.39 -127.98 141.61 17.51 82.47 0.02 17.13 0.50 0.03 0.01 0.01 0.00 81.54 0.78 43 H E E 68.78 8.98 24.17 33.77 119.56 -154.18 -108.77 130.39 24.67 75.27 0.06 23.23 1.18 0.11 0.02 0.04 0.00 70.85 4.57 44 D C C 20.04 19.34 13.24 32.39 109.17 -164.67 -109.94 102.42 83.76 16.07 0.17 81.97 1.63 0.32 0.04 0.10 0.00 14.57 1.38 45 E C T 124.35 4.19 16.99 22.63 94.35 -169.91 -70.47 -27.52 96.38 1.33 2.29 25.76 21.99 48.09 0.17 2.73 0.00 0.93 0.34 46 N C T 110.71 2.09 17.56 19.24 96.45 40.55 -94.87 4.29 96.94 0.63 2.43 5.08 36.72 54.90 0.12 2.58 0.00 0.36 0.23 47 N C S 86.14 11.22 13.58 25.37 94.47 -118.67 63.00 32.13 96.57 1.82 1.61 27.30 59.77 9.24 0.14 1.79 0.00 1.02 0.75 48 E C C 112.72 4.51 21.94 26.83 103.63 126.42 -96.19 24.94 94.45 5.06 0.49 87.42 5.00 1.73 0.14 0.38 0.00 2.13 3.20 49 C C C 10.77 23.75 11.07 34.00 125.78 120.40 -112.64 148.18 94.61 5.19 0.20 91.87 2.69 0.55 0.06 0.14 0.00 2.62 2.07 50 G C C 31.00 4.73 25.18 30.00 137.11 161.74 -137.09 171.56 94.92 4.96 0.12 91.72 3.16 0.50 0.04 0.08 0.00 2.00 2.49 51 I C T 98.31 9.99 16.99 27.64 110.22 -67.37 -60.85 134.18 99.40 0.45 0.15 0.23 2.49 96.88 0.01 0.09 0.00 0.20 0.10 52 G C T 38.95 5.26 20.36 26.64 96.76 25.39 89.15 -6.61 99.86 0.08 0.05 0.45 2.33 97.11 0.00 0.04 0.00 0.05 0.01 53 D C C 27.98 15.07 16.34 32.56 117.56 133.80 -70.87 145.28 96.42 3.57 0.00 95.30 1.34 0.02 0.00 0.00 0.00 3.26 0.08 54 V E E 53.69 9.70 24.38 34.82 117.59 -133.44 -101.52 131.85 0.69 99.31 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.20 0.09 55 V E E 4.23 25.46 16.03 42.10 129.63 -173.55 -126.07 148.68 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 56 E E E 61.19 8.45 26.68 36.14 118.83 -135.16 -102.75 133.20 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 57 I E E 9.85 24.65 15.54 40.45 119.69 -157.59 -109.21 130.86 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 58 R E E 93.27 7.42 24.04 31.95 131.70 -173.79 -131.23 151.27 0.65 99.35 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.40 0.01 59 E E E 94.02 10.92 18.24 29.30 114.13 -109.57 -75.21 137.62 2.73 97.26 0.01 2.40 0.18 0.02 0.00 0.00 0.00 97.31 0.08 60 C E E 28.12 15.43 12.35 28.11 131.11 -173.79 -126.62 157.36 39.32 60.59 0.08 36.15 1.91 0.16 0.02 0.06 0.00 61.16 0.55 61 R C C 162.98 2.02 18.03 20.07 115.47 -104.33 -94.88 134.98 62.92 36.68 0.40 44.59 16.56 1.51 0.08 0.36 0.00 35.98 0.92 62 P C C 65.47 11.39 9.45 21.34 112.88 -108.99 -67.57 140.43 74.32 24.68 1.00 58.25 12.54 3.38 0.23 0.84 0.00 22.77 1.99 63 L C S 118.10 2.75 12.29 16.34 98.00 -162.39 -84.37 -30.53 85.72 13.08 1.20 25.97 50.09 10.36 0.21 1.06 0.00 9.80 2.51 64 S C S 56.09 2.73 13.54 17.02 134.99 3.68 -146.98 167.60 86.46 12.31 1.23 20.64 54.14 12.18 0.20 1.09 0.00 8.17 3.57 65 K C S 171.84 1.28 11.73 13.93 92.19 -99.31 -65.34 -22.45 98.50 0.58 0.92 2.90 63.23 32.61 0.07 0.69 0.00 0.33 0.17 66 T C S 95.93 2.71 13.95 17.30 100.27 47.81 -96.90 -10.54 96.87 2.47 0.65 4.10 61.70 31.40 0.04 0.54 0.00 1.89 0.31 67 K C E 73.81 10.84 13.95 25.77 120.92 52.24 -118.38 128.41 53.61 46.10 0.30 43.10 8.51 1.57 0.06 0.29 0.00 43.40 3.07 68 S E E 21.86 12.64 17.89 32.01 131.24 172.35 -131.89 152.28 27.70 72.27 0.03 24.33 2.16 0.16 0.01 0.03 0.00 72.72 0.60 69 W E E 27.84 19.59 17.76 37.53 128.23 -152.04 -122.59 145.66 6.88 93.12 0.00 5.99 0.34 0.01 0.00 0.00 0.00 93.58 0.08 70 T E E 35.71 10.45 24.56 35.95 122.87 -153.92 -118.16 135.03 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 71 L E E 20.46 21.04 15.19 36.64 109.42 -118.12 -76.17 123.90 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 72 V E E 64.10 7.58 20.66 29.28 101.08 175.90 -97.45 -32.90 0.61 99.39 0.00 0.43 0.09 0.01 0.00 0.00 0.00 99.47 0.00 73 R E E 112.13 4.05 23.66 28.15 137.63 -1.38 -151.82 149.73 0.42 99.58 0.00 0.32 0.04 0.00 0.00 0.00 0.00 99.63 0.00 74 V E E 50.29 17.46 13.50 30.46 114.25 -135.72 -98.54 122.42 0.59 99.41 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 75 V E E 60.04 8.69 16.35 26.34 106.69 -176.13 -97.25 -15.99 5.43 94.57 0.00 4.61 0.48 0.02 0.00 0.00 0.00 94.80 0.09 76 E E E 114.93 4.75 16.10 22.34 127.94 -6.84 -130.80 142.45 11.86 88.10 0.04 10.08 1.23 0.17 0.01 0.03 0.00 88.20 0.29 77 K C E 126.15 7.30 10.94 19.97 116.76 -138.40 -97.99 135.28 50.24 49.64 0.12 48.23 0.76 0.37 0.02 0.09 0.00 49.61 0.92 78 A C C 70.20 5.19 13.08 19.60 112.23 -135.79 -84.07 140.34 99.84 0.16 0.00 99.80 0.07 0.02 0.00 0.00 0.00 0.10 0.00