# 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 110.40 6.23 10.61 18.62 118.69 -161.97 -103.21 136.59 99.64 0.32 0.03 99.60 0.11 0.05 0.02 0.00 0.00 0.20 0.02 1 K C C 151.82 1.92 11.60 14.86 117.49 -150.00 -103.75 133.04 60.00 38.65 1.35 57.68 1.17 0.88 0.80 0.47 0.00 36.48 2.52 2 V E E 79.95 9.37 7.69 18.05 121.89 -164.86 -116.10 135.48 42.80 55.17 2.03 37.52 3.44 1.14 1.08 0.85 0.00 54.56 1.41 3 K E E 143.11 1.86 14.28 17.02 120.78 -164.04 -115.87 135.33 31.03 67.05 1.92 28.07 1.86 0.73 1.03 0.70 0.00 66.69 0.92 4 I E E 85.17 10.92 8.39 19.91 113.43 -137.84 -93.77 124.05 29.96 65.34 4.69 27.31 1.85 1.02 2.61 1.76 0.01 64.20 1.25 5 K E E 142.11 2.22 14.19 17.25 102.05 -176.16 -92.67 -32.09 41.41 51.43 7.16 29.16 8.15 5.06 2.68 3.80 0.03 50.08 1.05 6 C C E 79.40 3.45 14.09 18.87 132.01 0.99 -144.64 149.70 50.14 42.84 7.02 32.27 11.02 7.60 2.06 4.33 0.03 41.56 1.12 7 W C C 139.97 10.23 9.71 20.53 118.02 -160.80 -115.32 126.03 56.27 35.54 8.19 34.92 12.25 11.19 2.48 5.42 0.05 31.49 2.21 8 N C T 112.29 3.15 15.52 19.52 105.85 11.44 -98.04 41.48 68.97 25.26 5.77 24.93 18.89 26.21 1.39 3.90 0.03 23.07 1.57 9 G C E 34.96 7.70 14.46 23.22 123.04 4.51 -152.68 170.17 65.70 30.15 4.15 24.67 21.78 20.23 0.82 2.95 0.02 28.29 1.25 10 V E E 72.96 10.50 14.03 25.44 121.87 -120.34 -111.99 136.14 37.51 59.86 2.62 29.41 6.55 2.50 1.15 1.45 0.01 57.20 1.73 11 A E E 35.82 12.64 15.59 29.07 123.84 -161.28 -115.45 139.64 24.30 73.24 2.46 19.68 3.56 1.60 1.06 1.14 0.00 72.05 0.92 12 T E E 69.29 10.09 17.47 28.46 126.98 -162.77 -125.15 140.23 18.35 79.86 1.79 15.20 2.34 1.04 0.77 0.77 0.00 79.24 0.65 13 W E E 68.72 15.29 15.53 31.16 130.69 -172.88 -132.97 146.67 19.72 78.82 1.47 17.08 1.92 0.74 0.69 0.60 0.00 78.06 0.90 14 L E E 89.78 6.83 21.21 28.97 121.96 -147.08 -111.15 134.26 26.83 71.94 1.23 23.39 2.56 0.82 0.61 0.56 0.00 70.87 1.20 15 W E E 45.90 19.80 12.22 31.54 119.38 -146.52 -102.60 134.00 43.17 55.62 1.21 38.50 3.36 0.86 0.65 0.60 0.00 53.55 2.48 16 V C C 74.23 5.47 19.83 25.92 119.58 -150.52 -104.48 133.16 69.32 29.14 1.54 61.16 5.29 1.75 0.61 0.97 0.00 27.02 3.21 17 A C T 53.22 11.67 12.43 24.41 107.24 -126.52 -67.08 130.89 86.79 8.56 4.66 18.02 17.30 51.83 0.83 3.65 0.01 7.07 1.29 18 N C T 131.01 1.40 17.28 17.95 97.47 28.54 -82.75 11.51 93.08 3.51 3.40 19.48 20.14 53.51 0.41 3.14 0.00 2.61 0.70 19 D C C 50.95 11.95 12.16 24.98 117.14 109.09 -101.23 130.96 92.81 4.40 2.79 69.96 17.23 5.20 0.54 2.61 0.00 2.58 1.88 20 E C C 113.91 7.48 17.84 26.37 99.23 -168.54 -96.70 -6.16 93.34 5.73 0.94 53.17 36.71 3.79 0.23 0.73 0.00 3.39 1.98 21 N C B 73.36 7.17 21.77 29.96 125.30 69.92 -114.53 143.53 49.93 49.40 0.67 37.87 7.44 0.55 0.41 0.24 0.00 8.68 44.80 22 C C C 6.13 23.22 14.03 37.87 112.76 -113.20 -74.89 136.46 88.70 11.13 0.18 87.59 1.51 0.22 0.08 0.07 0.00 4.64 5.89 23 G C T 20.79 12.58 22.11 35.70 93.06 -141.30 -69.22 -27.36 98.91 0.72 0.36 1.27 8.16 89.51 0.04 0.30 0.00 0.48 0.24 24 I C T 40.73 17.55 19.31 36.01 100.43 41.12 -85.97 -41.51 99.61 0.20 0.19 0.13 2.70 96.88 0.00 0.13 0.00 0.09 0.06 25 C C T 40.80 11.57 18.24 30.76 100.07 19.76 -104.72 -9.51 99.67 0.16 0.17 0.44 3.78 95.50 0.01 0.14 0.00 0.09 0.04 26 R C C 137.44 7.59 18.33 27.07 93.83 -125.40 66.77 22.28 97.98 1.81 0.21 72.84 15.11 9.76 0.07 0.15 0.00 0.76 1.32 27 M C C 78.15 7.62 18.20 26.99 123.25 135.80 -91.31 149.71 90.96 8.88 0.16 72.52 18.22 0.61 0.05 0.11 0.00 5.59 2.91 28 A E B 59.65 7.61 21.12 29.17 114.55 -100.40 -67.54 144.36 22.80 76.87 0.33 17.06 1.49 0.12 0.24 0.07 0.00 12.39 68.62 29 F C C 21.99 23.27 12.22 34.97 113.57 -122.23 -86.32 131.42 89.19 9.92 0.89 82.69 4.97 1.29 0.28 0.63 0.00 6.50 3.65 30 N C C 100.73 5.08 22.38 28.16 106.97 -162.89 -98.30 56.08 87.11 9.90 2.98 40.48 27.24 19.80 0.50 2.79 0.00 5.66 3.53 31 G C C 24.72 10.72 19.36 30.41 121.14 15.39 110.03 170.42 78.99 17.20 3.81 34.48 23.72 22.36 0.68 3.40 0.03 9.82 5.52 32 C C C 41.22 15.48 16.61 31.66 118.51 -104.99 -99.23 146.26 76.54 21.39 2.07 48.60 22.85 4.65 0.70 1.50 0.02 9.78 11.91 33 C C C 22.32 14.94 13.34 29.19 116.31 -101.49 -95.67 129.07 85.36 13.79 0.85 59.11 23.64 2.51 0.28 0.66 0.00 5.42 8.39 34 P C T 97.69 3.89 16.21 21.43 92.73 -130.60 -64.04 -22.78 94.11 1.66 4.24 6.34 12.60 74.53 0.45 4.29 0.00 1.14 0.64 35 D C T 112.37 1.82 16.50 18.15 95.72 50.86 -90.99 -0.33 94.53 1.20 4.27 5.56 12.11 76.24 0.50 4.28 0.00 0.79 0.52 36 C C C 31.15 17.19 7.75 23.59 114.09 99.00 -86.80 133.42 86.36 9.21 4.42 45.96 28.76 10.93 0.96 3.55 0.01 3.18 6.65 37 K C S 162.11 1.40 17.50 18.47 96.94 -155.12 -84.38 -13.93 95.17 3.87 0.96 40.05 48.16 7.09 0.22 0.77 0.00 1.83 1.89 38 V C S 69.20 6.74 13.50 22.09 120.42 56.65 -113.57 130.03 92.17 7.21 0.62 25.43 63.68 3.12 0.18 0.40 0.00 3.07 4.12 39 P C T 83.71 6.36 14.11 22.01 110.80 -105.72 -64.04 142.51 89.29 5.75 4.96 26.03 14.09 49.24 0.74 4.37 0.01 3.17 2.35 40 G C T 46.71 5.39 15.76 22.28 102.78 25.59 87.65 -6.92 90.49 3.25 6.27 21.18 16.65 52.24 0.68 6.12 0.00 1.83 1.30 41 D C C 72.74 8.94 14.80 24.68 108.67 111.43 -85.44 95.28 85.36 6.77 7.87 38.06 24.39 22.75 0.95 7.30 0.01 3.03 3.51 42 D C C 100.54 4.81 19.93 25.57 101.97 -117.33 -85.98 33.68 86.17 9.38 4.44 46.17 21.65 18.15 0.65 4.15 0.00 4.24 4.98 43 C C C 18.53 20.45 13.60 33.55 116.95 135.85 -94.73 131.27 90.00 9.81 0.19 66.07 24.05 0.67 0.05 0.16 0.00 6.03 2.96 44 P C C 42.84 9.86 24.43 35.05 115.86 -116.83 -70.17 149.55 87.20 12.73 0.07 82.49 4.06 0.26 0.02 0.06 0.00 11.93 1.18 45 L E E 30.64 21.19 19.63 39.90 116.92 -111.18 -77.66 140.65 32.17 67.81 0.03 30.43 1.51 0.07 0.00 0.02 0.00 66.98 0.99 46 V E E 19.32 17.88 22.41 40.16 126.55 -166.94 -123.16 142.08 1.03 98.96 0.01 0.95 0.06 0.00 0.00 0.00 0.00 98.78 0.21 47 W E E 89.01 13.88 22.06 35.64 117.16 -135.31 -100.57 129.63 1.33 98.66 0.01 1.29 0.06 0.00 0.00 0.00 0.00 97.89 0.75 48 G C C 7.23 19.23 14.36 33.71 125.60 -146.90 -88.35 176.21 83.39 16.51 0.09 81.75 1.20 0.28 0.01 0.07 0.00 15.75 0.93 49 Q C T 115.39 5.84 19.90 26.54 93.10 -88.17 -65.81 -24.05 97.57 0.89 1.54 1.10 7.72 88.47 0.03 1.83 0.00 0.70 0.15 50 C C T 44.78 12.09 15.67 28.51 95.82 49.45 -90.72 6.40 98.46 0.13 1.40 0.75 7.22 90.23 0.03 1.66 0.00 0.08 0.03 51 S C S 64.07 7.50 20.91 28.92 94.30 -107.17 74.20 17.84 96.94 1.40 1.66 19.82 69.11 8.06 0.13 1.56 0.00 0.88 0.44 52 H C C 35.07 16.51 18.97 35.75 119.51 139.93 -83.61 145.76 86.56 13.38 0.05 83.72 2.72 0.15 0.02 0.03 0.00 12.25 1.12 53 C E E 20.61 17.89 23.67 41.40 122.30 -140.81 -108.48 136.24 1.31 98.69 0.00 1.27 0.07 0.00 0.00 0.00 0.00 97.91 0.74 54 F E E 7.37 23.29 22.83 45.83 135.44 -175.86 -135.75 155.98 0.49 99.51 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.37 0.13 55 H E E 22.02 17.02 23.97 41.20 116.79 -106.15 -72.29 149.38 12.61 87.36 0.03 12.47 0.36 0.02 0.02 0.01 0.00 86.59 0.53 56 M H H 44.49 17.50 20.56 37.87 91.17 -114.30 -58.15 -38.44 3.20 0.04 96.76 0.42 0.40 2.39 95.37 1.38 0.01 0.02 0.01 57 H H H 93.95 5.50 25.17 31.21 91.49 55.32 -64.02 -38.61 0.83 0.01 99.17 0.07 0.06 0.66 97.76 1.44 0.00 0.00 0.00 58 C H H 12.04 16.90 20.78 38.09 91.86 49.94 -64.96 -42.39 0.33 0.01 99.66 0.04 0.03 0.24 97.81 1.89 0.00 0.00 0.00 59 I H H 5.51 24.46 18.39 42.73 91.76 50.82 -63.69 -43.44 0.28 0.01 99.71 0.04 0.02 0.19 99.23 0.50 0.00 0.01 0.00 60 L H H 61.11 9.25 21.20 31.08 91.67 51.18 -63.42 -41.50 0.62 0.02 99.37 0.09 0.04 0.44 98.94 0.46 0.00 0.01 0.00 61 K H H 102.75 3.79 21.87 25.51 91.78 50.44 -64.79 -41.20 1.32 0.02 98.67 0.14 0.08 1.05 98.04 0.67 0.00 0.01 0.00 62 W H H 36.22 15.40 16.32 32.39 92.17 49.83 -65.43 -41.51 2.40 0.02 97.58 0.26 0.15 1.87 96.87 0.83 0.01 0.01 0.00 63 L H H 44.69 14.80 14.94 29.79 92.62 51.44 -66.14 -37.59 9.05 0.10 90.84 1.01 0.71 7.29 89.94 0.93 0.03 0.05 0.04 64 H H H 137.59 2.06 16.80 18.83 93.59 49.24 -75.81 -21.58 26.69 0.26 73.05 2.82 2.46 21.05 72.11 1.25 0.07 0.10 0.14 65 A C H 57.04 5.59 11.95 19.14 101.48 66.12 -78.82 -16.03 52.60 1.22 46.17 16.22 14.46 22.87 42.72 2.54 0.07 0.44 0.69 66 Q C H 119.53 4.88 12.31 18.64 100.03 -138.65 -73.78 2.00 61.69 1.85 36.46 23.37 14.73 24.57 28.93 6.56 0.06 0.84 0.94 67 Q C C 110.88 5.15 12.59 19.19 103.81 96.24 -83.97 17.38 65.50 2.53 31.97 35.98 11.09 18.41 21.92 10.12 0.02 1.37 1.09 68 V C C 82.46 7.65 12.52 21.29 104.07 102.76 -86.44 -2.96 64.30 4.39 31.32 34.27 13.23 17.36 17.52 13.40 0.05 2.41 1.76 69 Q C C 103.43 6.49 15.53 23.02 106.31 68.08 -90.60 70.37 68.42 7.58 24.00 38.74 13.28 17.35 10.92 12.56 0.03 5.14 1.99 70 Q C C 78.59 11.03 15.28 26.80 106.40 146.28 -91.29 32.95 77.24 12.68 10.08 51.25 17.55 8.94 3.13 6.63 0.00 11.11 1.40 71 H E B 90.27 7.02 20.24 28.03 125.49 77.24 -115.12 142.86 15.49 84.07 0.44 12.04 1.73 0.15 0.35 0.07 0.00 15.64 70.01 72 C C C 8.88 20.71 12.72 34.25 110.56 -112.36 -71.40 131.20 95.30 4.63 0.07 95.33 0.66 0.14 0.02 0.03 0.00 2.73 1.09 73 P C T 49.62 10.29 18.56 30.46 92.53 -140.79 -66.83 -24.32 99.50 0.15 0.35 0.80 4.38 94.38 0.02 0.29 0.00 0.09 0.04 74 M C T 77.02 10.74 16.99 28.09 99.07 44.52 -82.52 -40.87 99.44 0.15 0.41 0.31 3.35 95.90 0.01 0.29 0.00 0.08 0.04 75 C C T 60.49 6.13 15.53 23.10 101.14 21.78 -107.36 -10.11 99.43 0.21 0.35 1.36 6.06 92.04 0.02 0.32 0.00 0.14 0.06 76 R C C 152.17 5.18 14.57 21.62 93.96 -124.85 65.23 23.16 98.90 0.85 0.25 77.67 11.05 10.14 0.07 0.17 0.00 0.49 0.41 77 Q C C 81.73 5.96 14.98 22.77 120.26 144.90 -83.34 148.95 87.10 12.79 0.10 76.53 10.20 0.39 0.03 0.08 0.00 10.10 2.66 78 E E B 119.58 4.36 18.81 24.19 114.24 -105.24 -71.82 139.09 7.29 92.62 0.09 6.68 0.32 0.02 0.12 0.02 0.00 33.87 58.97 79 W C C 35.07 21.40 9.81 30.17 122.92 -152.54 -109.41 143.93 78.04 21.87 0.09 76.07 1.55 0.16 0.02 0.06 0.00 21.40 0.75 80 K C C 120.77 3.57 21.30 25.57 123.56 -161.52 -119.73 139.63 56.94 42.81 0.25 53.57 2.44 0.35 0.08 0.16 0.00 39.50 3.89 81 F E C 87.09 14.41 10.53 24.62 115.17 -123.21 -85.94 134.81 48.36 51.26 0.38 45.16 2.41 0.49 0.18 0.22 0.00 41.26 10.29 82 K C C 120.52 4.91 11.46 18.21 117.01 -148.16 -96.18 141.45 80.93 18.84 0.23 79.91 0.92 0.67 0.07 0.11 0.00 16.99 1.33 83 E C C 151.03 2.00 13.27 16.48 109.15 -108.72 -78.09 128.52 99.63 0.35 0.01 99.52 0.16 0.04 0.00 0.00 0.00 0.25 0.02