# 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 110.33 6.83 11.60 19.82 115.42 -157.58 -96.82 129.34 99.86 0.13 0.01 99.81 0.07 0.03 0.00 0.00 0.00 0.06 0.01 1 S C C 82.69 3.07 10.63 15.57 114.64 -156.68 -95.96 135.91 91.55 4.66 3.79 81.53 2.00 8.52 1.37 1.70 0.00 3.11 1.78 2 G C C 54.29 3.33 9.96 15.08 111.20 -68.28 -104.51 128.57 90.46 4.43 5.11 51.42 20.04 19.36 1.32 3.68 0.00 2.75 1.44 3 K C C 143.35 3.04 10.28 15.12 113.38 -156.12 -93.21 128.78 87.07 4.73 8.21 55.90 19.03 12.29 2.67 5.43 0.00 2.78 1.90 4 A C C 72.71 5.15 9.69 16.64 113.74 -136.74 -86.52 136.86 85.85 4.62 9.53 60.09 15.41 10.43 3.60 5.83 0.00 2.77 1.87 5 S C C 75.41 4.58 10.54 16.94 113.57 -139.10 -90.98 135.44 86.40 4.28 9.32 61.60 14.69 10.14 3.76 5.50 0.00 2.56 1.75 6 T C C 95.70 4.15 10.23 16.18 110.19 -155.32 -94.28 103.18 85.89 4.26 9.85 57.90 16.39 11.66 4.22 5.55 0.00 2.41 1.88 7 E C C 136.39 3.19 11.80 16.63 109.20 -157.87 -89.09 107.92 86.88 3.44 9.67 44.97 21.03 21.54 4.13 5.08 0.00 1.87 1.37 8 G C C 44.75 5.75 12.00 19.11 113.26 18.31 96.04 168.29 89.17 3.06 7.77 44.05 25.09 20.68 3.27 4.07 0.00 1.61 1.23 9 S C C 67.56 5.90 13.12 20.35 111.17 -121.84 -91.24 124.00 84.23 5.73 10.03 59.54 18.99 5.48 7.29 2.92 0.01 2.52 3.25 10 V C C 76.15 6.67 14.75 22.61 110.61 -141.34 -88.54 137.57 80.86 2.26 16.88 64.87 11.43 3.10 17.17 1.53 0.00 1.02 0.89 11 T H H 54.29 12.20 13.80 26.21 97.36 -107.18 -67.13 -36.01 42.06 1.21 56.73 29.38 5.18 7.89 53.32 3.19 0.01 0.65 0.38 12 T H H 68.47 8.29 15.59 24.62 94.91 57.02 -67.91 -34.33 22.38 0.49 77.14 13.23 3.44 6.86 71.51 4.51 0.01 0.26 0.18 13 E H H 111.74 3.06 18.30 21.35 94.46 54.63 -67.31 -36.96 10.77 0.29 88.94 5.49 1.73 4.14 81.94 6.42 0.01 0.18 0.09 14 F H H 57.42 11.90 16.45 29.06 93.44 52.54 -66.16 -41.93 6.43 0.17 93.40 2.65 0.91 3.10 86.65 6.53 0.01 0.11 0.05 15 L H H 24.86 20.56 14.41 34.14 92.69 51.39 -65.46 -39.25 4.72 0.08 95.20 1.38 0.57 2.70 88.13 7.13 0.01 0.06 0.02 16 S H H 63.29 6.15 18.83 25.90 91.85 56.77 -64.87 -31.79 8.82 0.10 91.08 1.30 0.77 6.10 80.92 10.77 0.04 0.06 0.04 17 D H H 93.10 3.77 21.20 25.11 92.12 57.37 -72.24 -20.93 27.10 0.09 72.80 1.20 1.41 23.56 64.20 9.47 0.06 0.05 0.06 18 I C T 15.08 20.56 14.33 34.94 96.70 47.72 -95.06 -11.92 53.86 0.59 45.56 4.35 3.21 45.57 40.00 6.16 0.10 0.29 0.33 19 I C T 66.54 13.93 14.30 28.82 111.47 116.09 -63.00 130.46 96.25 1.41 2.34 0.92 1.59 94.60 1.01 0.51 0.00 0.51 0.85 20 G C T 49.87 3.44 20.48 24.56 94.00 19.05 83.47 -3.34 99.52 0.18 0.30 0.28 1.99 97.43 0.04 0.12 0.00 0.13 0.01 21 K C S 93.62 7.24 19.14 27.61 126.40 109.70 -103.37 151.77 98.14 1.80 0.06 35.74 62.23 0.32 0.01 0.03 0.00 1.54 0.12 22 T E E 71.62 8.61 20.64 29.66 113.74 -105.70 -70.47 137.28 20.42 79.56 0.02 20.84 0.34 0.02 0.00 0.01 0.00 77.10 1.68 23 V E E 8.66 22.73 14.94 37.84 131.87 -175.95 -132.68 150.21 1.74 98.26 0.00 1.71 0.03 0.00 0.00 0.00 0.00 98.22 0.04 24 N E E 54.44 9.19 25.40 35.38 117.43 -136.57 -105.50 128.66 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 25 V E E 5.58 24.58 17.14 42.18 122.42 -169.70 -118.12 131.89 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 26 K E E 89.65 7.47 24.48 32.48 114.01 -150.74 -101.85 122.20 0.64 99.35 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.34 0.03 27 L E E 12.87 21.30 12.62 33.91 123.80 -151.18 -87.70 164.88 41.55 58.32 0.14 41.22 0.57 0.09 0.02 0.07 0.00 57.04 0.99 28 A C T 69.04 6.95 16.21 24.40 90.83 -102.98 -61.99 -24.87 94.65 1.25 4.10 0.75 3.24 90.56 0.09 4.31 0.00 0.91 0.14 29 S C T 65.49 5.20 15.87 22.37 92.34 59.41 -85.28 -0.25 95.40 0.20 4.41 0.33 2.52 91.94 0.07 4.98 0.00 0.11 0.04 30 G C S 42.26 4.46 17.75 23.10 97.46 -100.77 89.80 5.42 96.78 0.57 2.64 12.46 79.19 4.94 0.11 2.78 0.00 0.35 0.18 31 L C C 37.09 14.16 14.59 29.94 117.47 137.80 -78.26 141.07 86.89 13.09 0.02 86.90 0.63 0.04 0.00 0.01 0.00 12.01 0.41 32 L E E 58.89 10.81 22.46 33.81 118.78 -150.30 -108.59 131.03 0.59 99.41 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.38 0.05 33 Y E E 10.50 23.73 18.02 41.95 126.22 -170.76 -121.72 139.99 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 34 S E E 34.81 10.89 26.44 37.74 124.91 -164.14 -118.70 138.70 0.24 99.76 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 35 G E E 5.57 17.31 22.18 39.87 145.04 122.84 -167.01 -176.05 0.85 99.14 0.00 0.66 0.04 0.00 0.00 0.00 0.00 99.29 0.00 36 R E E 87.67 8.67 26.59 36.50 123.58 -74.62 -116.68 138.82 0.33 99.67 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 37 L E E 7.60 24.69 14.91 40.52 109.95 -114.74 -73.42 127.32 0.57 99.42 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.01 38 E E E 83.35 7.05 23.80 31.50 100.85 175.00 -97.75 -30.82 1.94 98.05 0.01 1.34 0.35 0.03 0.00 0.01 0.00 98.25 0.01 39 S E E 40.36 6.83 25.26 33.08 143.49 -4.72 -161.07 157.66 1.80 98.18 0.02 1.27 0.31 0.04 0.00 0.01 0.00 98.35 0.02 40 I E E 39.19 21.95 12.45 33.26 129.91 -161.00 -137.18 139.67 3.12 96.85 0.03 2.81 0.26 0.03 0.01 0.01 0.00 96.18 0.69 41 D C C 66.21 6.03 20.08 26.48 124.62 -157.19 -103.89 170.83 77.33 22.53 0.14 74.04 1.67 0.47 0.03 0.09 0.00 22.96 0.74 42 G C T 50.82 5.38 16.76 23.26 93.51 -93.07 -61.59 -15.84 98.38 0.34 1.28 0.79 10.51 86.95 0.04 1.41 0.00 0.22 0.08 43 F C T 117.03 5.60 18.58 24.83 96.27 56.35 -92.56 3.07 98.84 0.13 1.03 0.72 9.72 88.24 0.03 1.18 0.00 0.07 0.04 44 M C S 42.47 17.11 16.22 33.03 95.12 -106.54 69.58 26.12 94.71 3.52 1.77 29.54 40.40 24.77 0.13 1.97 0.00 2.43 0.77 45 N C C 40.89 10.59 23.27 34.80 117.00 145.65 -84.43 139.94 78.12 21.80 0.08 72.39 3.03 1.15 0.01 0.06 0.00 22.46 0.89 46 V E E 4.14 25.54 18.36 44.49 123.22 -160.69 -119.71 132.59 1.21 98.79 0.00 1.17 0.03 0.00 0.00 0.00 0.00 98.73 0.07 47 A E E 20.02 12.05 27.22 40.19 121.61 -164.19 -112.41 134.06 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 48 L E E 8.05 24.14 17.80 42.15 119.34 -163.96 -111.85 127.90 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 49 S E E 37.86 8.73 23.03 32.18 128.85 -170.74 -116.70 158.11 1.52 98.48 0.00 0.90 0.36 0.02 0.00 0.00 0.00 98.70 0.01 50 S E E 72.23 3.89 23.63 27.81 94.99 6.72 59.32 49.41 2.25 97.75 0.00 1.30 0.56 0.03 0.00 0.00 0.00 98.10 0.00 51 A E E 9.11 22.81 11.75 34.21 120.15 171.34 -86.79 144.68 2.32 97.68 0.00 2.21 0.07 0.00 0.00 0.00 0.00 97.70 0.01 52 T E E 51.12 7.55 24.39 32.52 122.88 -156.56 -118.59 136.22 0.67 99.33 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.41 0.01 53 E E E 36.44 17.49 15.91 33.60 121.22 -161.64 -114.02 134.44 1.00 99.00 0.00 0.80 0.05 0.00 0.00 0.00 0.00 99.14 0.01 54 H E E 64.42 8.62 18.64 28.77 120.60 -162.48 -109.65 132.29 2.04 97.95 0.01 1.65 0.17 0.02 0.00 0.00 0.00 98.13 0.03 55 Y E E 65.36 11.76 13.56 26.80 124.38 -169.99 -121.79 140.91 2.90 97.07 0.03 2.38 0.28 0.05 0.01 0.02 0.00 97.20 0.08 56 E E E 104.87 4.84 13.67 20.18 115.66 -139.79 -101.37 125.80 13.11 86.76 0.13 10.91 1.68 0.34 0.03 0.09 0.00 86.50 0.47 57 S C C 39.33 7.94 8.58 18.21 123.14 -150.77 -91.42 171.29 75.84 23.39 0.76 67.03 5.06 2.08 0.14 0.61 0.00 24.25 0.83 58 N C T 141.88 0.69 9.90 10.53 93.64 -88.53 -66.19 -20.71 94.14 2.55 3.31 5.45 16.59 71.78 0.21 3.36 0.00 2.21 0.41 59 N C T 128.49 0.74 9.40 9.90 96.36 50.15 -89.72 4.81 96.64 0.33 3.03 3.89 14.66 77.78 0.18 3.16 0.00 0.21 0.13 60 N C S 122.43 2.42 9.68 13.81 95.39 -104.42 70.85 21.74 93.19 3.67 3.13 21.93 51.71 19.60 0.27 3.06 0.00 2.75 0.67 61 K C C 122.89 2.41 10.96 14.98 118.59 138.71 -89.73 142.32 78.07 21.62 0.31 69.34 4.80 1.64 0.05 0.26 0.00 23.24 0.67 62 L E E 92.90 7.86 9.57 18.94 116.06 -124.52 -85.43 132.86 10.75 89.19 0.07 9.50 0.94 0.16 0.02 0.04 0.00 88.75 0.59 63 L E E 76.30 6.29 13.51 21.60 122.43 -169.81 -113.85 140.76 4.13 95.84 0.03 3.36 0.41 0.07 0.00 0.01 0.00 96.06 0.09 64 N E E 90.07 9.04 12.37 22.64 121.61 -145.24 -109.88 136.88 4.44 95.54 0.02 3.39 0.64 0.07 0.00 0.01 0.00 95.84 0.04 65 K E E 96.48 7.32 15.12 24.08 125.72 -172.83 -126.90 139.68 5.09 94.89 0.02 4.35 0.41 0.05 0.00 0.01 0.00 95.09 0.09 66 F E E 117.04 8.65 13.90 23.84 118.49 -144.29 -103.74 131.79 9.12 90.85 0.03 8.09 0.69 0.08 0.01 0.02 0.00 90.70 0.41 67 N E E 69.68 9.75 14.21 24.89 123.89 -177.84 -121.70 144.15 26.52 73.26 0.22 21.38 3.85 0.79 0.04 0.20 0.00 73.23 0.52 68 S E E 61.29 5.32 17.77 23.57 120.66 -135.96 -90.67 -95.62 41.29 58.62 0.10 20.57 18.57 1.25 0.01 0.10 0.00 59.26 0.25 69 D E E 80.39 8.49 17.20 26.29 115.61 -2.85 -88.84 133.79 23.64 76.31 0.05 19.52 2.83 0.21 0.01 0.05 0.00 77.15 0.22 70 V E E 27.67 16.94 15.33 32.72 125.89 -172.43 -123.89 138.50 3.06 96.93 0.00 2.85 0.11 0.00 0.00 0.00 0.00 96.92 0.12 71 F E E 95.18 9.28 23.00 32.54 118.38 -148.50 -105.21 129.22 0.64 99.36 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.30 0.07 72 L E E 14.44 22.21 16.08 38.27 122.99 -168.57 -117.67 133.31 5.30 94.69 0.00 5.14 0.12 0.00 0.00 0.00 0.00 94.50 0.22 73 R C C 104.69 6.34 23.82 30.27 115.60 -136.59 -83.70 140.36 66.40 33.47 0.13 64.29 1.45 0.10 0.01 0.10 0.00 33.64 0.40 74 G H G 20.64 18.30 14.55 31.97 93.68 -116.72 -58.06 -36.37 14.65 1.04 84.31 1.54 2.58 8.57 0.44 86.04 0.00 0.80 0.04 75 T H G 92.30 4.00 21.70 26.03 92.31 62.07 -75.31 -15.35 13.28 1.10 85.62 1.06 1.87 8.28 0.39 87.51 0.00 0.87 0.03 76 Q H G 64.51 11.88 18.29 30.67 97.37 57.63 -95.82 -0.25 12.63 2.76 84.61 2.95 2.12 5.97 0.55 85.71 0.00 2.65 0.04 77 V E E 18.51 22.39 12.81 34.80 113.72 99.42 -88.03 125.38 3.94 96.02 0.04 3.73 0.21 0.02 0.01 0.02 0.00 95.76 0.24 78 M E E 89.67 6.91 21.54 28.97 101.89 176.11 -97.65 -30.89 1.41 98.56 0.03 1.14 0.12 0.01 0.01 0.00 0.00 98.71 0.01 79 Y E E 102.91 7.11 22.70 30.52 139.31 -0.86 -152.16 151.70 0.46 99.51 0.04 0.38 0.02 0.00 0.01 0.00 0.00 99.57 0.01 80 I E E 43.46 20.56 14.29 33.80 125.07 -164.12 -126.99 132.76 1.20 98.77 0.03 1.12 0.04 0.01 0.02 0.01 0.00 98.75 0.05 81 S E E 42.12 8.13 19.21 28.30 131.37 -175.38 -128.27 155.04 14.52 85.11 0.36 12.80 1.28 0.28 0.18 0.17 0.00 84.85 0.45 82 E C C 101.59 10.21 13.86 24.62 108.26 -131.16 -88.23 108.77 67.91 27.81 4.28 33.97 26.08 7.83 0.63 3.42 0.00 27.33 0.75 83 Q C S 105.66 5.69 13.19 20.32 114.28 87.75 -91.65 135.89 82.71 11.45 5.84 31.01 38.07 14.00 0.84 4.85 0.00 10.23 0.99 84 K C C 138.64 4.13 12.43 18.41 112.73 -121.70 -90.41 126.99 88.01 7.19 4.80 77.25 3.57 7.37 1.03 3.44 0.00 6.01 1.32 85 I C C 88.45 10.03 10.84 21.56 111.74 -151.41 -92.88 119.98 99.89 0.09 0.02 99.86 0.05 0.03 0.01 0.00 0.00 0.05 0.01