# 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 T C C 68.71 6.94 18.84 26.19 114.33 -154.50 -105.81 131.73 99.92 0.04 0.04 99.80 0.10 0.05 0.02 0.00 0.00 0.01 0.01 1 A H H 36.39 15.74 12.85 28.27 95.81 -128.87 -68.57 -21.77 44.86 0.88 54.25 32.16 2.25 11.49 33.97 19.25 0.00 0.55 0.33 2 Y H H 110.85 11.10 14.55 25.93 94.68 72.88 -68.27 -25.47 34.81 2.26 62.94 13.54 6.18 14.97 36.27 26.93 0.06 1.46 0.59 3 D H H 89.20 5.06 18.67 24.49 93.04 64.19 -71.72 -18.36 31.43 3.89 64.68 14.21 6.44 10.88 36.17 28.69 0.06 2.88 0.67 4 V H H 38.02 15.62 16.59 32.07 96.50 60.07 -80.37 -24.72 32.22 15.10 52.69 13.10 8.93 12.11 34.25 16.66 0.56 12.53 1.85 5 I E E 27.84 20.47 15.30 35.39 109.65 65.51 -94.32 101.46 22.99 50.96 26.05 12.59 5.98 6.41 23.05 5.09 0.46 38.45 7.96 6 L E E 72.80 11.80 19.60 31.27 107.84 105.88 -92.45 66.99 38.86 54.58 6.56 26.93 9.20 2.94 6.21 1.67 0.12 46.58 6.35 7 A C E 51.24 9.99 20.64 30.96 128.40 21.68 -135.37 142.11 57.01 42.70 0.29 40.00 16.65 0.64 0.13 0.17 0.00 41.15 1.26 8 P C C 51.42 15.50 17.26 32.27 114.84 -106.77 -67.67 146.41 67.86 31.81 0.33 63.24 3.10 0.45 0.13 0.19 0.00 31.19 1.70 9 V C C 49.52 14.37 19.02 33.25 106.29 -138.00 -89.46 82.49 73.81 25.68 0.51 61.72 11.13 1.12 0.26 0.32 0.00 17.64 7.83 10 L C C 54.54 16.37 14.66 30.61 120.21 47.53 -111.94 130.13 89.04 10.53 0.44 76.93 11.74 0.71 0.24 0.21 0.00 7.00 3.16 11 S C C 41.59 7.20 16.01 24.60 130.53 -160.14 -113.65 174.48 96.55 2.59 0.86 79.31 16.95 0.49 0.83 0.15 0.00 1.15 1.12 12 E H H 149.09 1.58 15.76 17.58 90.97 -95.43 -59.77 -37.00 9.68 0.09 90.23 1.70 2.75 5.84 87.35 2.23 0.05 0.03 0.05 13 K H H 130.26 2.80 17.42 20.70 91.77 51.58 -64.76 -39.30 8.43 0.09 91.47 1.32 1.23 6.12 87.72 3.46 0.06 0.05 0.04 14 A H H 10.95 19.41 11.69 30.81 92.41 50.12 -65.86 -40.95 5.91 0.13 93.96 1.88 0.88 3.40 89.20 4.51 0.02 0.08 0.04 15 Y H H 111.34 7.34 17.82 26.00 92.05 52.09 -63.36 -41.26 4.65 0.11 95.24 1.70 0.77 2.41 91.76 3.24 0.02 0.07 0.03 16 A H H 62.62 1.79 20.27 20.40 92.06 50.56 -64.69 -40.41 10.32 0.20 89.48 1.92 1.29 7.28 85.93 3.27 0.11 0.12 0.08 17 G H H 12.33 11.84 13.98 27.50 92.19 50.76 -65.67 -39.11 14.44 0.27 85.29 3.02 1.78 9.88 80.81 4.17 0.09 0.16 0.11 18 F H H 73.27 14.83 12.62 27.05 92.45 54.44 -64.22 -40.53 8.94 0.17 90.89 2.30 1.10 5.32 79.48 11.58 0.03 0.12 0.06 19 A H H 88.33 1.49 16.47 17.86 91.08 56.26 -65.85 -26.41 18.74 0.22 81.04 2.07 1.59 14.46 68.61 12.97 0.08 0.13 0.10 20 E C T 128.22 2.31 16.01 18.54 93.35 52.60 -87.06 0.11 69.38 0.10 30.52 1.01 2.45 68.02 17.64 10.73 0.01 0.05 0.09 21 G C T 40.00 7.46 15.92 24.65 95.59 -106.56 80.46 15.29 99.65 0.07 0.28 2.31 2.52 94.94 0.06 0.11 0.00 0.04 0.02 22 K C C 66.33 12.56 17.24 30.33 124.69 133.69 -101.59 147.90 71.04 28.91 0.05 67.41 3.10 0.18 0.01 0.04 0.00 28.36 0.91 23 Y E E 32.30 18.31 19.97 38.25 116.19 -123.62 -90.23 135.81 16.35 83.65 0.01 16.21 0.33 0.02 0.00 0.01 0.00 83.12 0.32 24 T E E 19.14 17.94 23.37 40.93 128.26 -167.55 -123.46 142.62 3.54 96.46 0.00 3.55 0.05 0.00 0.00 0.00 0.00 96.35 0.05 25 F E E 9.36 23.13 21.60 44.34 129.48 -171.14 -128.26 143.66 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 26 W E E 77.51 12.47 26.58 39.36 116.02 -142.61 -102.41 125.35 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 27 V E E 6.75 23.95 16.43 40.50 130.65 -174.18 -125.92 150.08 3.02 96.98 0.00 2.97 0.06 0.00 0.00 0.00 0.00 96.70 0.27 28 H C C 64.79 8.83 22.46 32.12 111.54 -103.73 -69.27 134.99 92.84 7.15 0.01 93.12 0.32 0.02 0.00 0.01 0.00 6.38 0.16 29 P C T 62.37 13.95 15.35 29.64 91.19 -129.15 -62.20 -24.45 98.99 0.35 0.67 0.45 3.09 95.51 0.01 0.67 0.00 0.22 0.04 30 K C T 152.52 1.56 21.16 21.92 92.95 59.81 -87.96 -1.80 99.15 0.18 0.66 0.49 2.64 96.00 0.01 0.73 0.00 0.11 0.02 31 A C C 10.29 21.07 9.51 30.34 116.78 122.03 -68.56 142.68 99.19 0.67 0.14 78.96 20.07 0.19 0.04 0.09 0.00 0.24 0.41 32 T C C 64.55 3.59 24.09 26.69 125.99 -139.50 -94.97 166.21 96.55 3.30 0.16 95.72 0.58 0.04 0.10 0.01 0.00 0.39 3.16 33 K H H 88.83 15.30 14.66 29.48 90.94 -103.77 -58.48 -38.48 1.24 0.00 98.76 0.15 0.17 0.71 98.87 0.10 0.00 0.00 0.00 34 T H H 85.47 2.49 21.98 23.75 91.68 52.55 -64.24 -40.90 0.54 0.00 99.46 0.05 0.04 0.37 99.46 0.09 0.00 0.00 0.00 35 E H H 68.16 9.10 20.86 30.58 92.03 48.99 -65.41 -40.80 0.14 0.00 99.86 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 36 I H H 1.82 26.92 15.79 43.54 91.05 49.54 -63.58 -43.83 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 37 K H H 72.77 14.86 21.99 35.71 91.24 51.43 -61.88 -42.46 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 38 N H H 89.06 2.81 26.62 28.59 91.78 49.44 -64.95 -41.55 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 39 A H H 9.82 15.50 21.32 37.67 91.77 50.44 -64.17 -43.10 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 40 V H H 1.75 26.62 17.74 44.95 91.73 48.52 -64.60 -43.09 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 41 E H H 65.29 11.51 19.65 31.45 91.85 51.11 -63.50 -41.89 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 42 T H H 89.16 2.57 22.49 24.55 92.57 48.31 -66.38 -40.60 0.19 0.00 99.81 0.00 0.00 0.18 99.78 0.04 0.00 0.00 0.00 43 A H H 26.67 15.60 17.36 32.73 94.86 44.57 -73.33 -39.33 1.00 0.00 99.00 0.02 0.03 0.98 98.92 0.06 0.00 0.00 0.00 44 F H H 26.65 19.09 14.70 33.94 101.23 25.59 -105.13 -2.45 12.91 0.03 87.06 0.55 1.22 10.56 87.41 0.22 0.01 0.01 0.02 45 K C T 156.72 1.88 21.30 22.97 94.36 -125.08 57.46 42.32 99.76 0.07 0.17 18.35 10.75 70.71 0.07 0.06 0.00 0.04 0.02 46 V C C 18.55 19.85 11.68 31.45 130.35 134.02 -123.05 151.80 95.28 4.69 0.02 72.27 22.91 0.23 0.00 0.02 0.00 4.29 0.28 47 K C C 122.66 3.12 24.55 27.40 112.86 -124.02 -89.80 128.59 85.66 14.34 0.01 85.32 0.63 0.03 0.00 0.01 0.00 13.83 0.18 48 V E E 20.78 23.08 10.94 33.45 111.50 -137.87 -85.47 122.11 16.77 83.21 0.01 18.10 0.14 0.01 0.00 0.01 0.00 80.75 0.99 49 V E E 80.49 4.47 21.23 26.17 99.45 177.16 -91.13 -33.88 18.36 81.62 0.02 10.35 7.80 0.17 0.00 0.02 0.00 81.57 0.09 50 K E E 100.75 4.19 23.58 28.45 137.72 -0.65 -154.09 149.66 3.03 96.97 0.01 1.98 0.73 0.05 0.00 0.00 0.00 97.22 0.02 51 V E E 30.30 23.04 11.83 33.71 125.18 -165.58 -131.64 131.04 1.38 98.61 0.00 1.24 0.05 0.00 0.00 0.00 0.00 98.69 0.02 52 N E E 70.34 5.54 24.74 30.37 127.07 -175.68 -125.17 142.83 2.27 97.73 0.00 1.92 0.11 0.01 0.00 0.00 0.00 97.95 0.01 53 T E E 43.03 19.76 13.08 31.66 125.25 -159.09 -119.49 137.75 2.97 97.02 0.00 2.85 0.06 0.00 0.00 0.00 0.00 97.03 0.06 54 L E E 67.59 7.56 19.49 28.18 125.80 -170.47 -125.78 140.21 1.63 98.37 0.00 1.55 0.04 0.00 0.00 0.00 0.00 98.24 0.17 55 H E E 103.21 9.60 15.55 26.28 115.89 -138.44 -97.00 125.43 5.10 94.90 0.00 4.71 0.24 0.01 0.00 0.00 0.00 94.88 0.16 56 V E E 51.02 10.86 13.10 25.49 122.54 -172.62 -115.85 137.36 24.93 75.05 0.02 23.49 0.83 0.06 0.00 0.02 0.00 74.92 0.68 57 R C C 164.63 2.42 17.20 20.43 112.89 -121.99 -81.08 132.13 54.48 45.45 0.07 49.61 2.90 0.32 0.01 0.06 0.00 46.53 0.55 58 G C C 25.88 13.87 9.03 22.45 125.69 -140.12 -86.18 166.94 59.49 40.42 0.09 51.03 6.25 0.65 0.01 0.08 0.00 41.17 0.79 59 K E E 127.78 2.86 15.89 19.58 122.05 -108.13 -110.28 146.99 21.43 78.50 0.06 19.84 1.30 0.13 0.02 0.04 0.00 77.59 1.07 60 K E E 131.36 5.35 11.00 18.49 114.52 -115.04 -80.31 133.88 11.73 88.24 0.03 11.18 0.42 0.05 0.01 0.01 0.00 87.97 0.36 61 K E E 100.22 5.44 10.31 17.84 125.23 -171.30 -122.95 146.75 5.70 94.27 0.03 5.13 0.42 0.07 0.01 0.01 0.00 94.15 0.21 62 R E E 166.03 2.24 8.81 13.08 115.74 -131.13 -96.05 127.59 7.72 92.24 0.04 6.87 0.47 0.08 0.01 0.02 0.00 92.00 0.55 63 L E E 106.96 3.01 7.67 12.66 115.11 -176.81 -123.87 106.81 29.72 70.12 0.15 25.48 2.57 0.56 0.04 0.11 0.00 70.53 0.71 64 G C T 65.14 0.40 10.30 9.55 109.76 -51.64 64.51 -127.16 98.09 1.52 0.38 16.22 23.52 58.30 0.04 0.41 0.00 1.36 0.15 65 R C T 208.27 0.31 9.17 8.26 96.92 -16.24 -89.17 -3.36 98.43 1.17 0.41 14.63 23.66 60.04 0.04 0.45 0.00 1.06 0.12 66 Y E E 149.10 2.27 8.38 12.57 121.48 81.22 -108.48 140.66 23.78 76.10 0.12 17.79 5.77 1.01 0.03 0.10 0.00 74.31 0.99 67 L E E 117.52 3.25 9.09 14.67 119.37 -148.92 -104.42 137.18 10.97 89.01 0.02 9.41 0.78 0.10 0.00 0.01 0.00 89.43 0.26 68 G E E 31.26 4.69 12.20 18.72 135.96 144.86 -150.14 177.09 6.50 93.49 0.01 5.26 0.80 0.09 0.00 0.01 0.00 93.72 0.13 69 K E E 129.48 4.67 12.23 19.05 121.28 -92.51 -105.32 142.58 5.94 94.05 0.01 5.46 0.33 0.02 0.00 0.00 0.00 92.45 1.74 70 R C C 108.37 8.46 12.40 22.37 124.07 -157.35 -114.02 142.16 59.78 40.20 0.02 57.35 1.33 0.05 0.00 0.01 0.00 40.63 0.62 71 P C C 68.01 7.27 14.95 23.56 114.56 -103.28 -66.54 150.33 82.36 17.58 0.06 72.46 6.85 0.66 0.01 0.06 0.00 19.59 0.37 72 D C C 67.55 9.96 14.99 25.85 106.72 -128.06 -84.84 61.84 81.18 18.75 0.07 57.64 20.54 1.40 0.01 0.10 0.00 19.87 0.46 73 R E E 88.67 11.27 17.29 29.14 129.79 77.03 -124.82 148.37 21.31 78.67 0.02 18.54 2.11 0.10 0.00 0.02 0.00 78.32 0.91 74 K E E 44.01 15.80 17.19 33.40 128.29 -161.48 -122.88 143.92 4.22 95.78 0.00 3.84 0.20 0.01 0.00 0.00 0.00 95.84 0.12 75 K E E 68.71 12.04 22.26 34.43 122.45 -144.91 -109.72 139.30 1.12 98.88 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.90 0.03 76 A E E 7.61 22.08 17.21 39.78 122.66 -159.54 -113.55 137.59 1.08 98.92 0.00 1.09 0.01 0.00 0.00 0.00 0.00 98.89 0.01 77 I E E 48.19 10.51 24.63 36.06 117.49 -152.56 -110.45 125.80 0.45 99.55 0.00 0.44 0.00 0.00 0.00 0.00 0.00 99.53 0.02 78 V E E 8.74 23.18 17.65 41.17 121.65 -168.37 -115.04 132.15 0.85 99.15 0.00 0.87 0.00 0.00 0.00 0.00 0.00 99.11 0.01 79 Q E E 73.51 8.59 26.17 35.17 117.71 -158.11 -107.39 128.63 2.68 97.32 0.00 2.64 0.05 0.00 0.00 0.00 0.00 97.21 0.10 80 V E E 11.32 22.52 12.98 35.49 121.26 -162.89 -107.22 138.95 12.86 87.14 0.00 13.08 0.21 0.01 0.00 0.00 0.00 84.68 2.01 81 A C C 43.73 5.89 18.81 25.70 118.94 -118.34 -73.90 156.41 97.72 2.26 0.02 97.17 0.74 0.06 0.00 0.01 0.00 1.87 0.15 82 P C T 104.70 3.69 14.71 20.18 110.14 -80.90 -59.37 136.84 98.80 0.57 0.63 0.82 4.47 93.66 0.03 0.55 0.00 0.35 0.12 83 G C T 62.71 0.97 16.03 15.99 96.03 20.68 85.41 -3.38 98.92 0.48 0.59 1.64 4.00 93.32 0.02 0.60 0.00 0.35 0.06 84 Q C C 66.91 12.35 11.02 24.00 117.63 127.85 -81.12 141.00 92.54 6.77 0.69 87.59 4.75 0.63 0.12 0.57 0.00 5.34 1.00 85 K C C 130.98 4.71 17.99 24.73 125.95 -162.22 -123.89 140.32 64.47 35.00 0.53 63.21 1.33 0.33 0.24 0.26 0.00 26.23 8.40 86 I C C 30.58 19.57 11.55 30.74 117.88 -153.37 -108.41 127.41 65.16 33.86 0.97 63.15 1.57 0.50 0.35 0.48 0.00 31.62 2.33 87 E C C 109.90 5.14 19.34 25.31 109.84 -136.62 -85.00 123.48 69.81 25.07 5.12 66.17 2.54 1.58 1.23 3.04 0.00 23.67 1.78 88 A C C 46.70 13.68 13.73 27.28 98.19 -165.90 -74.98 -26.79 73.58 9.44 16.98 33.23 19.07 22.45 2.11 14.37 0.01 7.64 1.11 89 L C C 77.05 10.22 12.78 23.61 102.64 37.05 -104.98 13.65 70.97 10.06 18.97 30.18 16.49 26.09 2.29 15.95 0.03 7.11 1.86 90 E C T 120.06 5.51 11.24 18.60 111.29 123.59 -75.79 123.37 81.90 6.31 11.80 29.11 17.63 36.28 1.84 9.33 0.01 4.30 1.50 91 G C C 59.41 1.87 12.28 15.02 102.90 14.72 81.45 1.66 94.11 2.41 3.48 53.05 5.66 35.98 0.85 2.20 0.00 1.66 0.61 92 L C C 100.01 6.97 10.60 18.88 107.82 118.62 -87.75 98.98 99.84 0.14 0.02 99.69 0.14 0.06 0.01 0.00 0.00 0.08 0.02