# 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 G C C 45.72 4.78 12.99 19.22 119.21 -161.12 -95.46 145.15 99.91 0.08 0.01 99.84 0.07 0.03 0.00 0.00 0.00 0.04 0.01 1 H C C 143.33 3.07 9.97 14.87 116.87 -96.68 -101.50 135.67 85.91 7.87 6.22 79.93 1.85 4.72 2.28 3.07 0.00 5.25 2.90 2 M C C 125.24 3.95 8.18 14.08 113.19 -151.13 -94.31 129.69 78.48 9.62 11.90 52.02 13.31 13.14 2.93 9.14 0.01 6.95 2.50 3 D C C 110.76 2.51 10.20 14.34 112.15 -150.53 -94.87 119.36 76.82 8.69 14.49 48.88 15.12 13.04 3.18 11.49 0.01 6.21 2.06 4 Y C C 136.58 6.26 8.70 16.54 114.16 -163.26 -100.54 122.61 79.11 6.99 13.90 48.39 18.11 12.96 3.30 10.62 0.02 4.58 2.01 5 D C C 114.21 2.20 12.97 16.28 108.56 -148.20 -92.73 98.23 87.72 4.32 7.96 58.48 18.78 10.53 2.15 5.80 0.00 2.66 1.59 6 I C C 84.65 8.90 9.91 20.07 118.11 -169.84 -99.28 135.46 94.29 2.88 2.83 62.34 28.35 3.91 1.01 1.61 0.00 1.49 1.28 7 P C C 75.04 6.44 13.92 21.72 111.66 -111.13 -71.32 144.06 93.58 1.92 4.50 67.82 14.02 11.36 0.85 4.07 0.00 1.37 0.52 8 T C C 77.11 8.22 14.00 23.20 104.80 -144.11 -90.75 -0.57 87.34 6.42 6.24 46.53 26.38 14.47 0.72 5.93 0.00 5.09 0.87 9 T C C 67.00 7.62 17.27 25.85 125.86 53.62 -119.79 140.86 65.61 30.23 4.16 43.62 14.84 6.38 0.51 3.63 0.00 30.16 0.87 10 M E E 30.60 17.76 14.24 32.16 125.80 -168.23 -122.00 140.26 20.55 79.18 0.27 16.67 3.36 0.44 0.05 0.19 0.00 78.98 0.32 11 Q E E 82.11 7.92 22.41 30.83 117.09 -144.05 -103.10 128.93 2.58 97.41 0.01 2.28 0.13 0.01 0.00 0.00 0.00 97.52 0.05 12 I E E 10.14 22.67 15.58 38.56 124.14 -169.81 -118.96 135.97 0.49 99.51 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.00 13 F E E 62.18 8.75 24.43 34.14 116.83 -149.98 -104.21 126.91 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 14 V E E 7.29 23.21 16.26 39.82 123.71 -169.34 -118.50 135.02 0.20 99.80 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 15 K E E 82.78 7.47 22.98 31.09 115.83 -145.38 -102.03 125.04 0.95 99.05 0.00 0.84 0.04 0.01 0.00 0.00 0.00 99.04 0.06 16 T C C 14.88 17.75 13.14 31.34 124.38 -148.65 -88.76 166.69 63.93 35.99 0.08 62.53 0.78 0.12 0.01 0.05 0.00 35.56 0.95 17 L C T 93.72 9.00 14.64 24.72 91.33 -99.51 -63.85 -23.48 98.43 0.98 0.59 0.87 6.18 91.46 0.02 0.58 0.00 0.81 0.09 18 T C T 87.56 3.63 14.77 19.38 93.60 58.76 -86.78 -0.11 99.25 0.22 0.54 0.60 6.39 92.29 0.02 0.53 0.00 0.13 0.04 19 G C S 50.26 3.15 14.54 18.75 98.12 -100.96 87.72 4.56 98.97 0.70 0.33 16.07 81.44 1.60 0.03 0.26 0.00 0.41 0.19 20 K C C 101.80 5.09 14.36 21.38 117.84 134.34 -79.89 143.38 96.98 3.00 0.02 95.80 1.34 0.09 0.00 0.01 0.00 2.57 0.18 21 T E E 76.31 9.34 14.59 25.42 123.31 -148.69 -115.69 137.25 1.69 98.31 0.00 1.64 0.05 0.00 0.00 0.00 0.00 98.14 0.18 22 I E E 31.82 15.15 15.54 31.75 124.99 -171.40 -123.26 137.03 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 23 T E E 73.75 8.65 19.71 29.51 120.98 -155.87 -111.52 132.45 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 24 L E E 22.23 18.79 15.54 34.51 128.25 -175.85 -128.83 142.62 1.20 98.80 0.00 1.09 0.03 0.00 0.00 0.00 0.00 98.87 0.01 25 E E E 112.06 5.72 23.57 30.28 116.46 -140.05 -98.54 128.51 3.22 96.78 0.00 2.98 0.12 0.00 0.00 0.00 0.00 96.85 0.05 26 V E E 10.14 22.50 13.50 35.96 132.88 177.18 -135.01 153.15 16.94 83.05 0.00 17.36 0.18 0.01 0.00 0.00 0.00 81.01 1.44 27 E C C 94.55 4.37 24.90 28.92 116.56 -116.46 -82.79 144.04 92.65 7.35 0.01 93.38 0.23 0.01 0.00 0.00 0.00 6.14 0.23 28 P C T 36.22 19.80 13.43 32.76 91.10 -115.61 -60.68 -25.04 99.63 0.18 0.20 0.27 1.85 97.60 0.00 0.14 0.00 0.10 0.02 29 S C T 79.61 2.88 21.43 24.71 92.43 58.43 -88.97 -3.07 99.75 0.09 0.16 0.32 1.83 97.63 0.01 0.15 0.00 0.05 0.01 30 D C C 31.10 13.96 14.85 30.21 117.86 115.42 -70.58 144.17 98.65 1.28 0.07 72.57 26.21 0.16 0.01 0.05 0.00 0.66 0.33 31 T E B 45.35 7.13 24.20 31.78 122.77 -123.92 -84.08 161.13 15.49 84.44 0.07 11.74 0.25 0.00 0.05 0.00 0.00 3.46 84.48 32 I H H 10.25 24.56 14.57 39.70 90.48 -111.49 -58.04 -39.46 1.85 0.01 98.13 0.23 0.21 1.32 97.78 0.44 0.00 0.00 0.00 33 E H H 107.81 5.94 22.45 29.19 91.09 55.13 -62.65 -40.69 0.68 0.00 99.32 0.06 0.03 0.49 99.10 0.30 0.00 0.00 0.00 34 N H H 81.52 3.96 24.37 28.09 92.05 48.73 -65.85 -40.34 0.41 0.00 99.59 0.08 0.03 0.25 99.27 0.36 0.00 0.00 0.00 35 V H H 4.78 23.06 17.60 40.92 91.70 49.84 -64.52 -43.46 0.28 0.00 99.72 0.05 0.02 0.15 99.62 0.15 0.00 0.00 0.00 36 K H H 52.84 17.90 19.93 36.60 91.41 52.11 -61.98 -42.82 0.26 0.00 99.74 0.03 0.01 0.15 99.73 0.07 0.00 0.00 0.00 37 A H H 52.84 2.94 23.33 25.51 91.30 50.81 -63.12 -42.24 0.55 0.00 99.44 0.05 0.03 0.41 99.37 0.14 0.00 0.00 0.00 38 K H H 85.52 6.11 22.02 28.50 92.07 49.37 -65.56 -41.23 1.54 0.01 98.46 0.14 0.09 1.19 98.33 0.25 0.00 0.00 0.00 39 I H H 7.06 21.43 14.09 36.00 91.85 49.30 -65.06 -42.40 3.54 0.06 96.40 0.50 0.41 2.48 96.16 0.39 0.01 0.02 0.02 40 Q H H 73.88 10.62 15.75 26.94 92.20 50.90 -64.11 -40.86 10.09 0.25 89.66 2.43 1.33 6.13 89.18 0.69 0.03 0.11 0.10 41 D H H 117.78 0.95 17.75 17.10 93.35 47.74 -68.91 -35.47 20.03 0.18 79.79 3.29 2.35 14.08 78.91 1.17 0.04 0.08 0.08 42 K H H 120.31 4.85 15.24 21.18 97.87 43.16 -79.76 -33.90 32.48 0.23 67.29 2.47 5.34 24.51 65.82 1.56 0.09 0.07 0.15 43 E H H 88.02 9.23 13.58 23.54 101.49 24.34 -102.30 -6.73 41.16 0.38 58.46 3.98 10.46 26.76 56.97 1.31 0.13 0.10 0.29 44 G C C 57.40 1.78 18.48 19.95 95.46 -116.76 76.00 16.81 99.65 0.12 0.23 61.18 12.01 26.47 0.08 0.11 0.00 0.06 0.07 45 I C C 26.80 16.98 9.66 26.87 116.73 144.10 -91.39 132.32 99.63 0.35 0.01 91.68 7.86 0.04 0.01 0.00 0.00 0.08 0.33 46 P C C 60.22 3.78 20.89 24.78 112.70 -110.19 -65.00 144.67 99.94 0.04 0.01 99.76 0.18 0.02 0.00 0.00 0.00 0.01 0.02 47 P H G 56.08 16.52 11.77 27.66 91.93 -119.07 -58.38 -35.51 10.41 0.07 89.52 1.08 0.87 6.18 0.44 91.39 0.00 0.05 0.00 48 D H G 114.92 2.12 19.01 21.51 90.86 61.42 -70.99 -13.06 10.43 0.11 89.46 0.57 0.80 7.21 0.41 90.93 0.00 0.08 0.00 49 Q H G 85.87 8.17 18.18 27.29 96.95 56.76 -96.28 0.28 10.78 0.43 88.79 2.05 1.51 5.22 0.46 90.42 0.00 0.34 0.01 50 Q C C 24.07 21.58 13.71 34.80 120.50 96.42 -96.10 139.39 52.03 47.48 0.49 45.70 6.35 0.39 0.14 0.37 0.00 45.23 1.82 51 R E E 94.20 9.32 26.10 35.78 128.48 -172.10 -127.48 140.88 6.91 93.03 0.06 7.05 0.22 0.03 0.02 0.02 0.00 92.03 0.62 52 L E E 6.50 24.68 17.93 43.11 116.33 -141.30 -100.24 128.36 2.07 97.92 0.02 1.77 0.17 0.01 0.00 0.01 0.00 98.00 0.04 53 I E E 32.15 11.54 23.94 36.62 123.94 -168.58 -117.98 135.24 0.94 99.04 0.02 0.79 0.09 0.02 0.01 0.01 0.00 99.05 0.04 54 F E E 26.96 19.75 15.21 34.72 120.28 -172.15 -126.21 123.50 1.74 98.19 0.07 1.12 0.46 0.17 0.02 0.04 0.00 97.63 0.56 55 A C T 58.19 10.04 15.93 26.99 93.33 -19.86 53.92 42.62 99.21 0.51 0.29 0.33 2.30 96.81 0.02 0.18 0.00 0.33 0.03 56 G C T 59.93 2.20 16.40 19.06 95.20 -49.18 80.85 2.73 99.71 0.12 0.17 0.39 2.76 96.62 0.01 0.13 0.00 0.08 0.01 57 K E E 117.18 3.97 16.09 21.87 123.70 106.58 -109.69 140.94 3.68 96.29 0.03 2.11 1.37 0.21 0.01 0.02 0.00 95.29 0.99 58 Q E E 113.39 5.89 17.09 24.70 114.45 -120.29 -79.14 133.27 5.39 94.59 0.02 4.74 0.44 0.05 0.01 0.01 0.00 93.81 0.95 59 L C C 18.13 22.28 9.09 30.38 115.54 -124.49 -82.61 136.47 77.87 22.09 0.04 77.14 0.86 0.08 0.01 0.02 0.00 21.25 0.64 60 E C C 127.85 2.54 21.01 23.32 118.99 -140.41 -95.56 142.58 98.86 1.05 0.09 98.00 0.84 0.24 0.01 0.04 0.00 0.56 0.30 61 D C T 98.49 7.54 14.08 22.96 108.18 -89.36 -61.55 128.75 99.26 0.28 0.46 1.24 4.04 94.04 0.06 0.37 0.00 0.15 0.10 62 G C T 51.06 3.84 17.83 22.50 96.17 21.59 86.78 -2.63 99.53 0.16 0.31 2.15 3.53 93.84 0.03 0.31 0.00 0.11 0.02 63 R C C 82.37 9.78 15.54 26.76 119.05 127.93 -78.60 146.35 95.78 4.13 0.09 79.62 16.25 0.24 0.02 0.08 0.00 2.69 1.10 64 T E B 37.32 9.03 21.04 31.10 122.87 -130.10 -89.49 157.39 14.58 85.34 0.08 10.58 0.44 0.02 0.06 0.01 0.00 7.15 81.73 65 L H G 9.31 24.78 12.91 38.08 91.11 -111.72 -59.70 -35.26 30.69 0.71 68.60 2.33 3.24 24.60 4.54 64.62 0.00 0.48 0.19 66 S H G 64.58 7.44 18.27 26.68 91.26 60.42 -65.26 -31.52 22.99 0.12 76.89 0.72 1.29 20.00 5.01 72.86 0.00 0.08 0.03 67 D H G 101.59 2.74 19.31 22.22 91.68 56.82 -72.78 -21.93 20.25 0.12 79.63 0.96 1.69 16.84 6.30 74.11 0.00 0.07 0.04 68 Y C G 49.86 17.38 12.82 29.74 99.46 53.70 -99.39 6.20 55.02 0.65 44.32 4.93 14.86 34.52 6.76 38.07 0.02 0.31 0.52 69 N C T 117.25 2.52 22.58 25.03 95.38 -121.84 58.60 42.63 95.78 1.59 2.63 24.59 6.56 65.00 0.59 1.82 0.00 0.93 0.50 70 I C C 12.98 24.66 8.79 32.45 115.26 172.29 -83.62 131.98 90.20 9.38 0.42 88.21 1.87 0.28 0.21 0.13 0.00 3.42 5.88 71 Q C C 102.95 3.28 22.24 25.38 126.26 -161.97 -111.85 160.04 95.27 4.22 0.51 93.90 1.15 0.51 0.17 0.19 0.00 2.23 1.85 72 K C T 126.12 7.33 16.19 24.49 105.78 -85.60 -63.99 132.86 93.73 3.11 3.16 2.32 11.82 80.06 0.34 2.56 0.00 2.49 0.41 73 E C T 133.42 3.70 19.21 23.39 96.09 18.58 48.42 13.02 93.98 3.01 3.01 3.55 10.09 79.97 0.22 2.84 0.00 3.15 0.17 74 S C C 21.04 15.31 13.98 30.06 117.93 131.02 -77.41 149.78 91.17 7.80 1.02 73.49 16.10 1.23 0.13 1.04 0.00 7.43 0.58 75 T E E 52.54 9.61 23.20 33.37 120.71 -139.58 -111.50 134.02 18.23 81.66 0.11 17.28 0.95 0.14 0.03 0.08 0.00 80.77 0.75 76 L E E 7.70 24.59 17.08 41.91 123.48 -165.88 -117.09 135.23 2.07 97.91 0.02 2.03 0.10 0.02 0.00 0.01 0.00 97.73 0.10 77 H E E 61.57 10.41 26.19 37.09 118.03 -154.94 -107.34 127.44 1.11 98.87 0.02 1.08 0.06 0.01 0.00 0.01 0.00 98.82 0.02 78 L E E 8.91 24.14 18.10 42.40 119.85 -163.43 -110.00 129.32 1.16 98.82 0.02 1.14 0.05 0.01 0.00 0.01 0.00 98.78 0.02 79 V E E 38.95 10.51 24.77 36.11 120.47 -165.74 -115.55 129.45 1.93 98.06 0.01 1.86 0.07 0.01 0.00 0.00 0.00 98.01 0.05 80 L E E 23.74 20.31 17.18 37.18 122.22 -161.59 -109.66 132.79 5.14 94.83 0.02 4.93 0.21 0.02 0.01 0.01 0.00 94.66 0.16 81 R E E 107.54 7.90 20.83 29.42 119.00 -157.79 -106.62 130.75 17.71 82.18 0.11 16.52 0.93 0.15 0.03 0.07 0.00 81.85 0.46 82 L E E 58.07 14.74 12.10 26.88 115.42 -141.49 -90.43 132.34 48.89 50.35 0.76 41.39 5.03 1.70 0.19 0.60 0.00 49.61 1.49 83 R C C 149.30 4.40 13.30 19.36 112.87 -126.08 -82.27 134.34 74.22 24.41 1.37 40.04 17.67 17.77 0.23 1.29 0.00 21.14 1.87 84 G C C 60.59 1.53 13.17 14.94 106.49 10.12 82.01 -1.26 92.00 7.07 0.93 58.00 12.38 21.82 0.11 0.88 0.00 5.88 0.93 85 C C C 76.02 8.04 11.89 20.75 110.60 76.63 -96.29 88.62 99.83 0.16 0.01 99.72 0.13 0.05 0.00 0.00 0.00 0.09 0.01