# 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 117.92 4.79 10.94 17.51 114.24 -158.77 -94.15 127.12 99.55 0.43 0.01 99.57 0.10 0.03 0.01 0.00 0.00 0.26 0.03 1 K C C 143.40 2.93 9.09 14.04 116.08 -156.11 -96.00 133.72 83.54 15.75 0.71 82.50 1.01 0.73 0.40 0.21 0.00 11.68 3.47 2 K C C 142.49 2.61 9.25 13.84 118.07 -139.26 -97.18 135.04 79.83 18.45 1.72 67.14 10.57 1.76 0.85 0.89 0.00 16.39 2.40 3 P C C 92.05 3.96 9.17 15.13 114.35 -109.44 -68.59 147.35 75.15 18.39 6.45 63.61 6.41 4.57 2.96 3.42 0.00 16.33 2.69 4 L C C 109.91 4.78 8.31 14.97 112.62 -116.45 -84.04 135.07 67.71 19.13 13.16 49.79 10.23 7.25 6.58 6.75 0.03 15.31 4.06 5 R C C 167.67 2.36 9.40 13.45 114.72 -142.52 -95.35 132.47 67.25 17.35 15.39 48.45 11.02 7.51 7.85 7.66 0.03 14.27 3.20 6 Q C C 125.49 3.50 8.26 13.67 114.52 -143.66 -93.90 129.55 69.81 12.79 17.40 49.01 11.88 8.91 8.27 9.11 0.02 10.35 2.45 7 Q C C 131.05 2.57 9.14 13.44 113.07 -146.09 -90.88 129.90 76.17 8.43 15.41 40.78 15.29 20.85 6.65 8.19 0.02 6.40 1.81 8 N C C 123.28 2.30 9.58 13.51 107.60 -131.06 -88.89 99.19 82.52 6.36 11.12 43.43 18.71 21.34 4.12 6.39 0.01 4.64 1.36 9 R C C 137.83 4.99 9.12 16.05 118.50 158.34 -102.26 137.29 80.31 13.01 6.68 54.94 20.40 5.18 3.45 3.19 0.01 10.92 1.92 10 Q C C 131.92 2.34 12.15 15.95 113.39 -126.99 -86.13 133.02 65.26 29.57 5.17 55.08 6.13 2.73 2.94 2.24 0.01 28.43 2.45 11 I E E 98.88 7.55 8.65 17.67 115.39 -147.75 -95.17 128.45 43.51 51.50 4.99 37.36 3.90 1.72 3.33 1.97 0.02 48.42 3.28 12 I E E 107.84 4.74 11.20 17.62 111.71 -168.63 -102.05 111.74 39.75 55.57 4.68 32.60 4.95 2.24 2.62 1.96 0.02 53.83 1.78 13 S E E 70.87 3.76 13.28 18.58 124.89 -145.68 -125.92 147.58 41.12 54.98 3.90 31.74 6.60 3.40 1.55 2.01 0.02 53.22 1.46 14 Y E E 132.06 8.44 9.73 19.50 120.43 -153.58 -112.80 134.50 47.22 51.42 1.36 36.57 9.46 1.57 0.62 0.81 0.01 48.44 2.52 15 V C C 96.65 3.40 12.89 18.01 119.60 -164.93 -115.00 130.90 60.20 39.64 0.16 50.02 9.08 0.40 0.05 0.12 0.00 39.09 1.24 16 P C C 88.50 5.38 10.66 17.90 113.99 -111.94 -66.45 144.93 68.75 30.65 0.60 62.29 4.07 0.99 0.19 0.38 0.00 30.67 1.40 17 R C C 142.84 5.62 9.24 16.70 113.33 -128.75 -86.83 132.50 78.35 20.07 1.58 60.85 13.01 3.86 0.53 1.22 0.00 15.96 4.57 18 T C C 108.99 2.00 10.98 14.20 108.17 -158.68 -95.02 64.11 82.59 16.22 1.19 52.38 26.85 3.82 0.37 0.97 0.00 11.26 4.35 19 E C C 126.60 3.50 10.12 15.55 117.76 -28.62 -98.88 133.47 89.34 10.30 0.36 54.88 33.63 1.62 0.09 0.30 0.00 7.54 1.93 20 P C C 89.13 4.93 11.19 17.85 113.35 -106.79 -68.33 149.53 93.68 5.91 0.41 77.65 14.13 1.89 0.13 0.33 0.00 3.97 1.92 21 A C C 64.31 6.64 11.10 19.40 116.19 -107.60 -80.19 142.52 97.07 2.82 0.11 83.45 13.41 0.32 0.04 0.06 0.00 1.17 1.56 22 P C C 71.03 7.21 11.94 20.81 114.86 -104.01 -66.56 149.72 99.15 0.42 0.43 93.51 5.00 0.73 0.18 0.16 0.00 0.20 0.21 23 P C C 79.43 7.02 11.31 19.81 109.49 -103.14 -66.25 149.82 69.39 0.98 29.63 41.11 8.44 17.65 4.16 27.72 0.00 0.55 0.38 24 E C G 152.00 1.99 14.34 17.14 99.18 -113.05 -73.70 -10.90 56.08 4.50 39.42 17.87 15.02 25.19 5.57 32.25 0.03 2.94 1.14 25 H C G 104.34 7.50 13.16 21.67 101.95 61.42 -93.03 10.68 44.54 15.36 40.11 21.31 12.09 14.92 6.76 30.51 0.07 12.61 1.71 26 A E E 37.21 15.07 10.73 25.52 118.67 118.86 -93.07 138.31 43.84 44.05 12.12 33.56 7.06 4.02 5.08 6.42 0.05 41.83 1.96 27 I E E 84.01 7.17 17.70 26.06 120.73 -158.89 -110.76 133.31 19.05 78.13 2.82 15.89 2.54 1.13 1.97 1.10 0.01 74.42 2.94 28 K E E 118.55 7.81 14.69 24.02 116.96 -139.03 -93.92 132.14 20.99 77.67 1.34 18.65 1.72 0.71 0.85 0.56 0.00 75.02 2.49 29 M C C 62.19 12.14 9.97 22.88 113.95 -155.68 -98.94 122.82 62.96 35.83 1.21 55.91 3.97 1.74 0.40 0.72 0.00 35.72 1.54 30 D C T 118.62 1.74 14.39 16.49 101.43 -147.79 -76.37 -24.63 82.85 14.58 2.56 17.61 20.31 45.17 0.26 2.48 0.00 13.02 1.15 31 S C T 83.38 2.66 14.07 17.25 97.53 40.58 -83.12 -4.47 92.68 4.91 2.41 8.00 26.45 57.98 0.14 2.57 0.00 4.31 0.53 32 F C S 63.91 13.44 9.80 23.48 123.59 76.43 -117.38 144.42 79.45 18.00 2.55 31.45 32.46 16.83 0.28 2.61 0.01 13.89 2.47 33 R C S 149.43 4.23 18.15 23.13 99.01 -143.80 -82.51 -15.61 79.03 20.53 0.44 14.30 49.51 14.55 0.03 0.46 0.00 20.46 0.70 34 D E E 49.95 11.63 17.87 29.94 106.07 34.23 -116.98 69.15 43.24 56.54 0.22 17.68 18.47 5.92 0.02 0.24 0.00 57.31 0.36 35 V E E 21.76 16.54 17.69 35.06 123.94 109.55 -118.76 137.99 4.66 95.34 0.01 4.07 0.29 0.01 0.00 0.00 0.00 95.54 0.09 36 W E E 42.06 15.57 21.10 37.03 127.06 -169.33 -122.55 144.52 0.20 99.80 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.80 0.01 37 M E E 38.25 13.91 20.83 35.54 121.47 -150.98 -117.02 131.01 0.19 99.81 0.00 0.16 0.01 0.00 0.00 0.00 0.00 99.82 0.01 38 L E E 35.21 14.94 15.98 31.78 116.88 -155.53 -104.59 125.21 4.28 95.69 0.04 3.38 0.53 0.13 0.01 0.03 0.00 95.81 0.12 39 R E E 124.21 7.12 16.96 24.90 111.48 -167.54 -109.42 104.40 35.21 63.10 1.69 4.71 8.19 27.26 0.09 1.48 0.00 57.59 0.68 40 G C T 50.62 3.33 17.54 21.31 103.13 -35.34 69.17 -65.64 98.42 0.52 1.06 1.62 9.41 87.34 0.03 1.15 0.00 0.37 0.08 41 K C T 114.81 7.21 17.56 25.22 102.36 10.49 -106.35 -1.48 98.73 0.71 0.56 1.76 11.67 85.32 0.02 0.60 0.00 0.56 0.07 42 Y E E 56.53 14.01 17.07 31.71 128.44 76.93 -117.39 147.76 6.22 93.75 0.03 4.42 1.27 0.22 0.00 0.02 0.00 93.78 0.27 43 V E E 18.12 16.89 20.10 37.81 123.61 -160.89 -117.77 136.43 0.44 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.54 0.02 44 A E E 8.68 18.49 22.23 41.21 122.22 -160.84 -113.54 137.26 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 45 F E E 24.10 17.58 21.86 39.75 124.45 -165.97 -119.29 136.60 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 46 V E E 22.66 14.60 20.71 36.52 118.96 -157.05 -111.69 129.01 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.01 47 L E E 44.72 12.54 16.27 30.16 116.47 -150.47 -98.24 129.10 2.40 97.58 0.01 1.99 0.21 0.03 0.00 0.01 0.00 97.66 0.10 48 M E E 86.36 7.47 14.53 23.31 115.25 -175.88 -120.32 110.92 23.92 75.69 0.39 14.92 6.88 3.15 0.06 0.35 0.00 73.92 0.73 49 G C T 52.46 2.09 15.00 17.51 109.82 -46.04 63.75 -131.69 97.69 1.57 0.73 3.26 27.83 66.67 0.04 0.75 0.00 1.23 0.21 50 E C T 157.83 1.87 13.16 15.65 98.09 -22.74 -91.95 2.04 98.57 0.73 0.71 3.56 30.50 64.54 0.04 0.71 0.00 0.51 0.13 51 S E E 65.94 3.47 15.14 19.84 127.08 86.29 -117.89 149.64 25.31 74.48 0.20 15.54 9.14 1.69 0.04 0.18 0.00 72.47 0.93 52 F E E 82.25 14.56 10.07 24.41 120.92 -146.15 -107.61 136.80 7.03 92.92 0.06 6.16 0.68 0.14 0.02 0.03 0.00 92.20 0.77 53 L E E 84.29 6.24 16.98 24.57 123.37 -166.42 -116.94 139.58 9.87 90.05 0.08 8.05 1.39 0.26 0.02 0.04 0.00 89.79 0.45 54 R E E 140.55 7.62 14.51 23.76 117.51 -132.54 -91.34 136.59 24.85 74.97 0.18 17.88 7.23 0.85 0.06 0.13 0.00 72.67 1.18 55 S C C 37.13 12.08 10.67 23.56 120.66 -135.56 -91.36 149.09 76.45 23.30 0.24 62.25 12.08 0.94 0.05 0.22 0.00 23.31 1.14 56 P C C 97.36 2.99 15.52 19.26 104.06 -101.50 -67.23 147.05 87.46 10.20 2.35 42.42 25.45 19.72 0.27 2.30 0.00 8.95 0.91 57 A C C 73.64 4.74 13.45 19.58 112.40 -57.17 -83.00 139.89 83.12 13.14 3.74 48.93 16.38 18.43 0.58 3.50 0.01 9.88 2.29 58 F C C 85.92 12.88 9.44 22.24 117.87 -155.02 -105.89 136.22 74.47 22.25 3.28 53.98 12.76 7.15 0.95 2.70 0.02 14.65 7.80 59 T C C 105.01 2.19 16.95 19.45 111.39 -155.38 -101.45 116.67 86.09 12.53 1.38 48.60 32.95 5.25 0.39 1.06 0.01 8.92 2.81 60 V C S 56.23 13.49 9.64 23.13 119.18 -152.62 -98.36 138.15 94.05 5.56 0.39 38.60 56.04 0.61 0.24 0.14 0.00 3.06 1.33 61 P C C 60.97 6.04 13.31 21.16 113.32 -104.69 -65.31 149.40 95.81 1.80 2.39 93.30 2.18 0.69 2.03 0.31 0.00 0.88 0.60 62 E H H 143.43 1.91 14.24 16.91 92.24 -113.23 -58.95 -37.90 5.91 0.05 94.04 1.93 1.01 3.02 90.78 3.20 0.01 0.03 0.02 63 S H H 64.37 2.85 16.39 19.56 92.06 54.52 -65.07 -37.68 3.22 0.05 96.73 0.79 0.39 1.98 93.16 3.63 0.01 0.03 0.01 64 A H H 19.61 13.45 12.73 27.24 92.28 50.85 -66.55 -39.43 1.39 0.03 98.57 0.46 0.18 0.74 95.40 3.17 0.00 0.02 0.00 65 Q H H 73.03 9.15 15.88 26.03 91.83 53.15 -63.36 -41.32 1.04 0.03 98.92 0.46 0.14 0.48 98.11 0.77 0.00 0.02 0.01 66 R H H 136.94 1.74 20.88 20.90 91.96 50.58 -64.59 -41.74 0.95 0.03 99.02 0.30 0.10 0.53 98.69 0.35 0.00 0.02 0.00 67 W H H 100.59 6.60 18.91 26.43 92.07 49.36 -64.71 -42.15 0.79 0.04 99.17 0.25 0.08 0.45 98.87 0.31 0.00 0.03 0.00 68 A H H 15.68 14.64 14.60 30.43 91.77 51.12 -63.33 -42.16 0.66 0.04 99.30 0.21 0.07 0.35 99.09 0.24 0.00 0.03 0.00 69 N H H 78.56 3.86 19.67 23.79 91.86 50.64 -64.41 -40.30 1.25 0.06 98.69 0.32 0.12 0.74 98.47 0.30 0.00 0.04 0.01 70 Q H H 92.61 2.35 18.62 20.35 92.09 50.86 -64.87 -40.55 2.35 0.10 97.55 0.53 0.24 1.51 97.18 0.44 0.01 0.08 0.02 71 I H H 45.39 9.17 13.72 24.75 92.41 50.13 -65.06 -41.25 4.88 0.32 94.81 1.48 0.69 2.88 93.98 0.67 0.02 0.21 0.07 72 R H H 109.79 7.29 13.17 21.74 92.56 51.95 -64.84 -39.15 10.45 0.59 88.97 4.01 1.32 5.47 87.17 1.45 0.03 0.40 0.15 73 Q H H 135.03 1.19 13.83 14.63 93.13 52.35 -68.04 -31.18 20.73 0.61 78.65 4.13 2.19 14.33 76.84 1.84 0.06 0.39 0.21 74 E C T 125.17 2.32 12.19 15.33 95.59 54.08 -81.49 -8.69 61.22 0.52 38.26 4.37 5.44 48.99 38.14 2.50 0.04 0.24 0.27 75 G C T 50.98 3.74 12.08 17.37 98.73 -108.23 75.53 10.95 84.29 0.73 14.99 12.21 9.93 61.36 12.97 2.81 0.01 0.37 0.35 76 E C C 105.85 5.08 11.42 18.18 99.86 122.53 -82.38 -5.33 78.86 4.71 16.43 41.59 17.82 19.93 9.71 6.48 0.02 2.74 1.70 77 V C C 75.58 8.80 8.69 18.45 112.64 64.52 -97.79 117.99 72.82 12.02 15.15 35.20 19.17 19.88 8.28 6.33 0.12 7.12 3.91 78 T C C 95.00 3.02 10.79 15.55 117.54 -162.71 -103.02 140.23 86.84 5.71 7.45 74.14 2.86 10.62 3.68 2.76 0.00 4.13 1.81 79 E C C 143.73 2.77 12.20 16.60 108.68 -107.66 -77.71 126.50 99.86 0.11 0.03 99.69 0.14 0.08 0.01 0.00 0.00 0.06 0.01