# 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 V C C 58.31 14.66 13.54 27.88 115.91 -160.55 -98.94 126.26 99.82 0.17 0.01 99.78 0.08 0.04 0.00 0.00 0.00 0.08 0.01 1 S C C 57.94 7.04 13.86 22.09 116.61 -148.72 -90.59 154.80 94.74 2.26 2.99 87.25 1.37 6.72 0.59 1.87 0.00 1.61 0.59 2 D C C 101.85 5.59 13.23 20.31 100.05 -132.46 -82.32 -2.63 91.55 4.13 4.32 39.09 26.05 26.37 0.38 4.56 0.00 2.75 0.79 3 K C C 119.90 5.84 16.21 23.14 109.09 77.82 -96.06 69.53 85.75 10.54 3.72 42.87 25.18 17.34 0.27 4.16 0.00 9.39 0.79 4 V C C 25.56 20.15 11.67 31.01 120.93 77.77 -107.69 135.02 61.38 38.27 0.35 52.70 6.27 0.75 0.06 0.30 0.00 39.28 0.65 5 E E E 100.21 5.83 23.16 29.47 121.99 -156.84 -110.55 136.25 15.57 84.37 0.07 14.23 0.94 0.11 0.02 0.04 0.00 84.28 0.39 6 G E E 12.96 20.50 13.59 33.12 139.27 165.85 -148.66 163.49 2.99 97.00 0.00 2.67 0.14 0.01 0.00 0.00 0.00 97.12 0.06 7 I E E 80.03 5.70 23.32 29.53 122.08 -135.26 -116.07 134.79 0.81 99.19 0.00 0.70 0.04 0.00 0.00 0.00 0.00 99.25 0.01 8 V E E 40.22 18.18 12.34 30.29 109.98 -125.23 -81.15 121.44 0.62 99.37 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 9 E E E 97.09 5.23 18.03 24.59 100.72 176.20 -94.47 -33.52 1.87 98.12 0.01 1.30 0.35 0.04 0.00 0.00 0.00 98.29 0.01 10 R E E 117.08 3.77 20.58 25.12 137.45 -0.04 -151.91 150.83 0.87 99.12 0.01 0.61 0.13 0.02 0.00 0.00 0.00 99.23 0.01 11 D E E 71.71 14.79 12.51 26.95 124.31 -159.78 -127.11 130.05 1.59 98.41 0.01 1.40 0.09 0.01 0.00 0.00 0.00 98.49 0.01 12 I E E 72.01 6.87 17.49 25.88 125.70 -175.03 -128.98 137.15 1.34 98.65 0.01 1.14 0.07 0.01 0.00 0.00 0.00 98.75 0.02 13 Q E E 113.53 5.38 14.91 22.18 116.47 -137.36 -97.02 130.31 2.77 97.22 0.01 2.42 0.17 0.01 0.00 0.00 0.00 97.31 0.08 14 N E E 30.51 13.85 9.02 23.75 108.94 -152.19 -103.05 107.93 26.83 73.12 0.04 25.78 0.60 0.07 0.01 0.02 0.00 72.94 0.58 15 N C T 126.18 1.36 13.83 15.70 93.54 -162.53 -67.08 -28.33 95.28 0.20 4.52 0.69 3.93 89.95 0.11 5.12 0.00 0.13 0.06 16 V C T 102.84 2.85 13.24 16.96 95.27 51.36 -72.33 -39.46 95.44 0.31 4.25 0.49 3.94 90.43 0.07 4.79 0.00 0.17 0.11 17 A C T 44.31 8.96 11.72 21.97 98.71 28.70 -99.42 -7.07 95.95 0.10 3.95 0.61 3.51 91.03 0.07 4.69 0.00 0.05 0.04 18 N C T 118.11 2.56 16.41 19.97 93.67 -125.79 57.57 39.24 99.68 0.13 0.19 6.94 4.04 88.76 0.04 0.12 0.00 0.09 0.01 19 R E E 58.59 12.65 12.98 26.73 133.04 129.10 -126.51 158.77 18.29 81.70 0.01 14.96 2.15 0.15 0.00 0.01 0.00 82.30 0.42 20 R E E 78.78 10.33 19.63 30.87 116.71 -114.42 -90.50 135.31 0.75 99.25 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.30 0.02 21 E E E 33.61 15.31 19.57 35.45 120.92 -154.37 -108.01 133.34 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 22 L E E 8.54 21.54 18.71 40.77 121.34 -160.75 -114.08 132.17 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 23 Y E E 58.72 10.90 25.40 37.09 118.15 -158.53 -109.90 126.54 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 24 I E E 5.85 24.20 17.54 42.21 126.09 -171.39 -120.14 140.76 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 25 K E E 60.34 9.43 26.69 36.97 117.44 -155.01 -109.34 125.32 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 26 L E E 5.09 24.77 17.54 43.03 118.33 -166.01 -111.53 125.88 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 27 F E E 71.03 8.66 25.25 34.47 117.81 -162.62 -110.79 126.16 4.70 95.29 0.00 3.90 0.39 0.02 0.00 0.00 0.00 95.59 0.10 28 H E E 32.08 18.30 14.31 32.46 114.97 -171.57 -117.77 117.07 35.97 63.96 0.07 32.50 2.35 0.21 0.01 0.06 0.00 63.88 0.99 29 I C T 98.31 6.11 16.92 24.13 108.61 -143.39 -76.24 123.34 79.12 19.96 0.91 23.10 23.69 33.64 0.10 0.95 0.00 17.17 1.35 30 G C S 56.83 2.23 15.61 18.21 102.30 -7.75 83.24 -8.95 96.82 2.52 0.66 5.13 50.72 41.26 0.03 0.67 0.00 1.78 0.40 31 S C S 78.85 3.52 15.16 19.92 115.50 58.51 -100.95 141.90 97.08 2.45 0.47 28.22 63.49 5.46 0.06 0.46 0.00 1.34 0.97 32 G C C 36.35 6.26 18.29 25.35 130.18 -100.62 -71.94 174.22 97.43 2.42 0.15 62.10 34.31 1.17 0.04 0.11 0.00 0.87 1.39 33 T C C 45.01 17.93 15.62 32.63 120.89 -79.63 -97.21 140.16 98.30 1.57 0.13 78.31 19.77 0.30 0.09 0.04 0.00 0.55 0.94 34 P C C 16.19 19.27 15.50 35.03 117.26 -108.04 -68.61 152.42 98.75 1.14 0.10 95.71 3.04 0.13 0.06 0.02 0.00 0.38 0.67 35 S C C 54.28 4.29 24.56 28.52 119.27 -108.35 -72.75 158.57 94.71 4.97 0.32 94.56 0.62 0.08 0.25 0.03 0.00 1.06 3.41 36 R H H 73.07 19.22 14.07 32.33 90.96 -112.45 -57.85 -39.32 1.31 0.00 98.68 0.31 0.19 0.65 98.64 0.21 0.00 0.00 0.00 37 K H H 130.64 3.49 21.29 25.63 91.34 53.70 -63.13 -40.12 0.41 0.00 99.59 0.06 0.03 0.25 99.47 0.20 0.00 0.00 0.00 38 E H H 88.14 5.29 22.86 28.24 91.67 49.12 -65.45 -40.80 0.17 0.00 99.83 0.02 0.01 0.10 99.70 0.17 0.00 0.00 0.00 39 L H H 2.74 25.45 17.15 42.99 91.54 49.60 -64.16 -43.93 0.16 0.00 99.84 0.01 0.00 0.10 99.81 0.06 0.00 0.00 0.00 40 V H H 22.94 19.82 20.71 39.57 91.35 51.06 -62.27 -43.21 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 41 K H H 120.66 2.99 25.78 28.54 91.58 50.20 -64.00 -41.44 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 42 A H H 29.77 9.51 23.33 33.65 91.73 49.61 -64.52 -42.17 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 43 I H H 2.70 25.46 18.31 44.09 91.76 48.41 -64.69 -43.33 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 44 A H H 13.19 15.44 17.49 33.90 91.25 51.31 -62.54 -42.69 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 45 S H H 81.55 1.38 22.30 21.88 91.76 49.82 -64.41 -39.99 0.58 0.00 99.42 0.02 0.01 0.54 99.19 0.24 0.00 0.00 0.00 46 T H H 60.82 10.23 17.53 28.21 92.22 49.70 -67.15 -36.21 1.97 0.00 98.02 0.04 0.05 1.91 97.75 0.24 0.00 0.00 0.00 47 F H H 41.04 17.15 12.84 29.90 97.66 36.46 -97.96 0.89 24.77 0.02 75.21 0.64 1.44 22.12 75.07 0.69 0.01 0.00 0.02 48 S C T 100.43 0.76 19.39 18.22 93.39 -124.51 56.35 43.14 99.86 0.01 0.14 6.39 2.23 91.29 0.06 0.03 0.00 0.00 0.00 49 T C C 36.13 13.78 10.80 25.17 135.03 121.20 -133.23 162.92 99.79 0.17 0.04 72.49 27.09 0.20 0.01 0.02 0.00 0.04 0.15 50 A C C 68.19 2.62 21.53 23.05 112.55 -91.80 -70.87 142.03 99.83 0.12 0.05 99.50 0.34 0.05 0.01 0.02 0.00 0.05 0.04 51 E H G 90.96 15.69 12.59 27.41 92.44 -123.45 -60.42 -32.00 10.06 0.25 89.69 1.13 1.19 6.01 0.29 91.19 0.00 0.19 0.01 52 D H G 103.74 3.57 21.48 25.99 90.62 64.59 -70.26 -15.34 10.56 0.31 89.13 0.70 1.07 6.86 0.23 90.86 0.00 0.27 0.01 53 L H G 32.45 15.61 18.26 34.35 97.04 57.39 -96.14 -1.70 9.33 1.15 89.52 1.36 1.37 5.45 0.33 90.33 0.00 1.13 0.02 54 V E E 4.67 25.14 16.80 42.53 120.44 87.40 -107.83 129.21 2.09 97.90 0.01 1.82 0.23 0.01 0.00 0.00 0.00 97.64 0.30 55 V E E 28.06 13.20 26.96 40.67 118.91 -166.26 -114.32 126.62 1.01 98.98 0.00 0.88 0.06 0.00 0.00 0.00 0.00 99.04 0.02 56 V E E 16.97 22.47 17.97 40.21 110.49 -131.86 -84.22 119.81 0.63 99.36 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 57 K E E 86.30 8.92 21.62 31.14 99.99 177.03 -92.38 -35.11 2.35 97.64 0.01 1.58 0.51 0.04 0.00 0.01 0.00 97.83 0.03 58 K E E 91.36 5.25 24.73 30.76 139.59 -2.68 -156.40 152.20 1.41 98.58 0.01 1.03 0.16 0.01 0.00 0.00 0.00 98.78 0.01 59 V E E 35.22 22.25 13.18 34.29 123.83 -161.62 -126.98 129.18 1.07 98.92 0.01 0.98 0.04 0.00 0.00 0.00 0.00 98.96 0.02 60 F E E 99.84 5.30 22.81 28.61 127.21 -176.44 -130.01 142.84 1.88 98.11 0.01 1.67 0.11 0.01 0.00 0.00 0.00 98.11 0.10 61 T E E 59.03 13.56 11.90 25.42 119.47 -153.37 -103.62 137.88 25.16 74.79 0.05 23.11 1.16 0.10 0.01 0.03 0.00 75.28 0.30 62 N C C 87.13 5.92 13.34 20.77 111.85 -146.20 -97.77 130.44 67.58 31.07 1.35 50.41 13.05 3.62 0.25 1.24 0.00 29.60 1.84 63 Y C T 178.45 2.13 11.71 15.24 111.01 -70.33 -75.38 129.02 85.27 7.35 7.38 5.83 23.84 55.95 0.47 6.97 0.02 5.29 1.62 64 G C T 65.14 0.75 13.35 13.13 99.54 5.25 81.84 -3.81 89.91 1.15 8.95 4.53 19.74 64.98 0.51 9.05 0.00 0.71 0.49 65 S C T 63.73 5.11 12.60 18.88 107.06 73.52 -97.83 0.57 89.61 2.15 8.23 12.51 34.35 42.25 0.56 8.27 0.00 1.24 0.82 66 G C S 35.57 8.75 14.89 24.76 97.34 -123.74 64.52 9.35 93.91 5.02 1.06 18.25 41.10 34.56 0.08 1.15 0.00 4.34 0.52 67 I E E 58.05 9.46 18.55 29.27 122.69 111.91 -104.08 141.31 37.70 62.23 0.07 31.20 5.78 0.34 0.02 0.06 0.00 61.26 1.33 68 S E E 9.94 20.33 15.94 36.37 126.67 -161.99 -117.34 144.80 8.54 91.45 0.01 7.45 0.44 0.02 0.00 0.00 0.00 91.96 0.12 69 Y E E 70.31 10.81 25.35 36.62 124.53 -155.72 -118.17 136.54 0.47 99.53 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.01 70 A E E 3.44 24.66 17.33 42.52 128.94 -171.89 -126.36 145.10 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 71 R E E 65.79 11.15 27.51 39.42 120.40 -156.76 -115.33 129.86 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 72 V E E 2.89 26.00 19.16 45.92 123.42 -169.03 -120.10 133.48 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 73 N E E 30.87 13.17 27.64 41.51 116.44 -154.08 -104.67 125.71 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 74 V E E 8.46 22.86 21.00 43.79 119.16 -160.44 -107.60 129.82 2.94 97.06 0.00 2.77 0.10 0.00 0.00 0.00 0.00 97.01 0.11 75 Y E E 22.79 15.79 18.29 35.11 127.62 -166.06 -114.65 157.25 35.43 64.50 0.07 34.27 1.04 0.09 0.03 0.05 0.00 62.67 1.85 76 K C S 128.04 5.70 19.87 26.62 93.08 -125.89 -72.87 -26.29 99.60 0.36 0.04 3.65 95.32 0.77 0.01 0.01 0.00 0.21 0.04 77 D C S 70.25 3.21 22.59 25.07 136.29 13.37 -143.00 160.27 98.66 0.77 0.57 23.72 74.04 1.03 0.43 0.10 0.00 0.20 0.48 78 K H H 96.44 13.58 12.82 26.34 92.43 -113.45 -60.68 -35.79 5.93 0.02 94.06 0.42 0.72 4.27 86.24 8.32 0.01 0.01 0.01 79 D H H 104.17 1.31 19.96 19.63 91.91 54.71 -64.20 -40.15 4.75 0.01 95.24 0.26 0.35 3.71 87.49 8.17 0.01 0.00 0.00 80 S H H 34.33 7.12 16.93 25.86 92.22 49.29 -65.70 -39.97 2.75 0.01 97.24 0.32 0.25 1.86 88.79 8.78 0.00 0.00 0.00 81 L H H 7.94 23.04 11.03 33.78 91.35 52.59 -63.26 -41.91 1.70 0.01 98.29 0.22 0.15 1.12 91.75 6.76 0.00 0.00 0.00 82 Q H H 97.88 8.06 17.73 26.68 91.32 53.53 -64.88 -32.92 5.55 0.02 94.43 0.34 0.28 4.59 83.57 11.20 0.01 0.01 0.01 83 K H H 149.89 1.26 21.05 20.55 92.76 52.68 -71.34 -29.90 14.98 0.02 84.99 0.40 0.61 13.92 76.17 8.85 0.02 0.01 0.02 84 L H H 55.83 13.01 16.22 29.44 100.33 35.43 -97.56 -20.26 25.90 0.15 73.95 1.17 3.12 21.88 69.10 4.46 0.11 0.06 0.11 85 E C S 23.02 21.99 10.47 31.31 120.67 80.30 -98.74 140.40 99.07 0.29 0.64 20.49 78.08 0.46 0.63 0.07 0.00 0.07 0.20 86 P C C 50.20 7.07 16.84 25.62 113.13 -105.88 -64.65 144.18 97.25 0.29 2.46 95.78 0.95 0.62 2.22 0.17 0.00 0.08 0.18 87 Q H H 127.51 3.48 14.75 20.06 92.03 -116.45 -58.43 -36.50 12.79 0.08 87.13 1.94 1.99 8.79 81.00 6.17 0.03 0.04 0.04 88 Y H H 130.91 3.38 16.67 20.71 92.09 56.97 -65.16 -37.71 8.89 0.12 90.99 1.25 1.00 6.55 84.34 6.70 0.04 0.08 0.04 89 L H H 32.06 14.32 13.54 28.54 93.18 50.21 -66.87 -40.40 5.65 0.38 93.96 1.66 0.88 3.30 86.47 7.26 0.04 0.32 0.07 90 I H H 46.92 13.22 13.11 26.99 92.03 51.01 -64.13 -40.34 7.14 0.68 92.18 2.54 1.17 3.89 86.92 4.74 0.04 0.58 0.12 91 G H H 48.07 2.31 17.03 19.33 92.58 51.33 -67.47 -34.49 20.36 0.89 78.75 5.51 2.98 12.68 73.55 4.29 0.09 0.64 0.25 92 R H H 129.44 5.25 14.60 21.01 95.45 53.78 -74.35 -24.58 35.06 0.71 64.23 7.14 5.75 22.79 59.55 3.97 0.10 0.37 0.33 93 D C H 56.53 13.56 10.35 23.54 101.27 56.76 -90.31 7.14 54.48 1.08 44.45 18.13 8.75 28.57 40.33 3.15 0.03 0.45 0.59 94 T C C 93.11 4.37 13.07 18.94 105.74 108.25 -87.24 26.50 84.03 0.75 15.22 64.26 1.58 16.96 15.24 1.16 0.00 0.31 0.49 95 G C C 46.16 4.54 14.53 20.53 115.55 -74.95 88.67 -158.10 99.97 0.02 0.01 99.87 0.07 0.04 0.00 0.00 0.00 0.01 0.00