# 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 K C C 138.09 3.35 16.54 20.93 114.99 -151.61 -94.16 131.37 99.82 0.18 0.00 99.76 0.10 0.02 0.00 0.00 0.00 0.10 0.01 1 V C C 70.66 11.50 11.55 23.70 120.50 -146.75 -108.32 135.23 67.00 32.95 0.05 66.75 0.46 0.10 0.01 0.02 0.00 31.66 1.00 2 E E E 82.17 7.70 16.67 25.63 125.59 -169.38 -115.19 147.31 13.28 86.67 0.06 11.96 1.06 0.11 0.02 0.04 0.00 85.87 0.95 3 L E E 79.49 8.73 18.18 27.78 118.87 -122.10 -93.25 135.64 5.00 94.96 0.03 4.78 0.26 0.01 0.04 0.01 0.00 78.95 15.95 4 C C C 9.28 20.15 11.71 32.67 110.53 -114.93 -71.22 129.23 83.51 16.46 0.03 84.76 0.48 0.07 0.01 0.02 0.00 13.44 1.22 5 S C T 58.16 7.32 19.69 28.15 93.21 -149.34 -69.50 -23.64 99.71 0.14 0.15 0.24 5.12 94.39 0.00 0.14 0.00 0.08 0.02 6 F C T 83.82 11.62 16.96 28.77 100.33 44.78 -84.73 -39.70 99.84 0.04 0.11 0.04 2.40 97.45 0.00 0.08 0.00 0.02 0.01 7 S C T 49.31 7.32 16.18 24.74 102.36 18.27 -107.95 -14.27 99.84 0.07 0.10 0.23 3.44 96.19 0.00 0.09 0.00 0.04 0.01 8 G C C 42.52 6.11 15.94 23.27 95.47 -122.15 82.01 5.69 98.99 0.94 0.07 82.90 11.01 5.11 0.01 0.06 0.00 0.54 0.37 9 Y C C 96.76 7.91 15.52 25.05 118.14 140.66 -76.72 145.01 93.35 6.64 0.01 88.78 4.76 0.10 0.00 0.01 0.00 5.80 0.55 10 K E E 120.42 5.92 20.22 27.16 114.53 -116.15 -78.93 134.82 2.22 97.77 0.01 2.06 0.15 0.01 0.01 0.00 0.00 77.87 19.90 11 I E E 19.08 21.28 11.40 32.25 121.89 -161.25 -113.99 134.39 20.17 79.80 0.02 19.88 0.60 0.03 0.01 0.01 0.00 75.40 4.07 12 Y C C 111.31 5.49 20.19 26.16 117.59 -124.06 -84.33 143.62 93.19 6.72 0.09 91.15 2.15 0.21 0.01 0.07 0.00 5.73 0.68 13 P C T 78.42 8.90 14.59 24.52 110.53 -88.59 -60.21 138.21 91.03 2.27 6.70 4.85 9.08 75.94 0.27 7.61 0.00 1.62 0.63 14 G C T 53.12 3.42 16.94 20.95 96.79 21.10 86.20 -3.90 90.77 1.82 7.41 4.23 8.40 77.07 0.37 8.14 0.00 1.40 0.39 15 H C C 100.28 7.45 15.24 23.80 107.20 96.33 -99.75 9.70 82.86 6.41 10.73 40.26 25.67 16.16 1.02 10.93 0.01 3.70 2.25 16 G C S 28.56 9.50 16.66 26.79 129.06 36.04 116.01 -166.80 86.60 12.46 0.94 26.71 52.48 7.45 0.11 0.94 0.00 11.13 1.19 17 R E E 108.20 8.87 18.41 27.83 120.18 -35.96 -101.59 140.67 37.91 61.77 0.32 27.29 8.57 1.64 0.03 0.31 0.00 61.64 0.52 18 R E E 85.27 13.97 16.48 30.57 125.71 -161.27 -120.86 138.93 2.90 97.09 0.01 2.57 0.16 0.01 0.00 0.00 0.00 97.15 0.10 19 Y E E 60.89 11.95 17.83 30.90 128.67 -172.36 -125.47 147.04 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.69 0.01 20 A E E 32.18 11.31 15.00 28.06 118.53 -144.59 -109.43 130.18 1.62 98.38 0.00 1.51 0.05 0.00 0.00 0.00 0.00 98.20 0.22 21 R C C 78.42 8.18 13.77 23.59 122.51 -142.34 -84.25 166.18 89.37 10.58 0.05 89.81 0.42 0.09 0.01 0.03 0.00 8.93 0.71 22 T C T 99.99 4.76 11.53 18.03 91.37 -102.14 -61.65 -25.39 98.94 0.30 0.75 0.35 2.70 95.95 0.01 0.74 0.00 0.21 0.04 23 D C T 110.57 1.38 13.01 14.34 92.75 56.98 -86.28 0.51 99.22 0.06 0.72 0.15 2.14 96.97 0.01 0.68 0.00 0.03 0.01 24 G C S 45.48 4.51 12.14 18.22 97.16 -103.14 87.12 5.84 99.18 0.31 0.51 13.73 84.46 1.15 0.04 0.35 0.00 0.13 0.14 25 K C C 98.83 4.56 14.08 20.56 117.90 138.03 -77.85 144.84 96.83 3.15 0.02 96.48 0.95 0.04 0.00 0.01 0.00 1.98 0.52 26 V E E 68.43 10.00 14.86 26.26 120.27 -144.14 -110.33 131.95 0.96 99.04 0.00 0.98 0.03 0.00 0.00 0.00 0.00 98.66 0.33 27 F E E 44.21 14.46 16.11 31.62 125.66 -171.40 -120.88 141.80 0.22 99.78 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.77 0.01 28 Q E E 79.22 8.70 21.95 31.32 118.34 -145.37 -104.88 130.83 0.75 99.25 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.26 0.03 29 F E E 23.97 19.10 13.14 32.54 119.76 -148.23 -98.69 142.80 20.02 79.96 0.02 20.12 0.34 0.02 0.01 0.01 0.00 78.59 0.91 30 L C S 76.24 8.02 19.01 28.24 95.56 -150.03 -80.93 -25.44 99.05 0.92 0.03 13.20 85.25 0.73 0.01 0.01 0.00 0.75 0.05 31 N C S 56.90 5.87 19.59 26.34 138.08 7.27 -147.61 161.74 98.89 0.84 0.27 22.48 76.19 0.42 0.20 0.04 0.00 0.22 0.46 32 A H H 72.97 4.79 15.53 21.85 91.38 -105.43 -61.67 -35.20 2.30 0.00 97.69 0.19 0.32 1.62 96.74 1.12 0.00 0.00 0.00 33 K H H 137.33 1.91 19.67 21.16 91.18 54.56 -63.96 -39.92 1.61 0.01 98.38 0.13 0.13 1.25 97.12 1.36 0.00 0.00 0.00 34 C H H 14.03 16.96 13.70 31.26 91.94 49.28 -65.60 -41.46 0.61 0.00 99.38 0.11 0.06 0.38 98.26 1.20 0.00 0.00 0.00 35 E H H 64.69 11.63 16.61 28.82 91.57 52.47 -62.43 -42.18 0.29 0.00 99.71 0.06 0.02 0.15 99.53 0.24 0.00 0.00 0.00 36 S H H 59.21 2.06 21.20 21.81 91.54 50.28 -63.86 -41.36 0.57 0.00 99.43 0.06 0.03 0.39 99.21 0.30 0.00 0.00 0.00 37 A H H 27.14 8.43 15.97 26.51 91.85 51.23 -64.80 -40.89 1.32 0.00 98.67 0.10 0.06 1.02 98.25 0.56 0.00 0.00 0.00 38 F H H 46.30 16.18 12.79 28.80 92.56 51.20 -65.26 -40.70 4.14 0.02 95.85 0.34 0.25 3.39 95.02 0.98 0.01 0.01 0.00 39 L H H 110.02 4.00 16.24 21.20 91.89 51.45 -67.21 -30.37 15.22 0.07 84.71 1.04 1.03 13.07 83.74 1.02 0.03 0.02 0.04 40 S C T 74.79 2.20 14.94 17.29 95.84 53.26 -85.07 -3.34 74.77 0.26 24.98 2.99 6.67 62.71 25.87 1.44 0.02 0.08 0.22 41 K C T 146.96 4.11 13.98 19.74 96.12 -117.42 60.09 34.78 92.46 0.30 7.24 13.74 7.55 70.72 6.57 1.12 0.00 0.14 0.17 42 R C C 105.73 8.43 12.19 22.16 116.03 163.26 -85.95 141.54 96.88 1.28 1.84 80.23 13.47 2.73 1.21 0.58 0.00 0.38 1.41 43 N C C 72.08 6.18 16.67 24.18 107.95 -120.38 -91.84 110.01 99.01 0.20 0.79 95.02 3.58 0.51 0.48 0.21 0.00 0.06 0.13 44 P H G 38.60 16.55 11.11 27.99 92.32 -158.64 -62.72 -26.34 20.97 0.34 78.69 5.91 2.46 11.08 5.73 74.50 0.00 0.22 0.09 45 R H G 142.79 5.44 15.57 22.45 91.20 66.75 -69.13 -17.73 19.57 0.78 79.65 3.36 2.39 12.65 5.94 74.90 0.00 0.62 0.15 46 Q H G 124.56 2.49 17.25 19.99 94.40 57.23 -87.76 -9.12 18.53 2.14 79.33 5.75 3.44 9.06 6.44 73.20 0.01 1.75 0.35 47 I C C 36.06 16.30 8.95 25.10 113.65 99.05 -90.10 125.90 78.63 4.26 17.10 46.89 27.50 4.44 12.32 4.42 0.02 2.03 2.38 48 N C C 110.03 3.48 18.41 22.58 97.33 -157.61 -75.88 -21.07 64.72 3.55 31.72 30.02 16.20 18.45 25.89 5.95 0.05 2.21 1.22 49 W C H 98.48 10.37 15.39 26.65 98.28 61.41 -84.53 -0.66 58.32 6.57 35.11 27.45 13.79 17.50 29.18 5.72 0.10 4.64 1.61 50 T C H 26.30 13.83 14.01 28.89 106.50 95.46 -77.00 117.06 48.16 8.65 43.18 36.59 7.08 4.93 39.49 3.72 0.02 6.40 1.77 51 V H H 65.10 7.81 17.04 26.01 93.98 64.30 -64.69 -38.59 14.79 5.75 79.46 8.24 2.91 4.26 75.30 2.98 0.03 5.89 0.39 52 L H H 77.38 4.47 17.72 23.02 92.40 52.35 -65.20 -40.83 10.89 6.75 82.36 5.06 1.70 4.26 77.93 3.35 0.03 7.41 0.26 53 Y H H 72.80 8.14 15.15 24.98 92.57 48.33 -66.58 -40.24 10.69 6.71 82.60 5.42 1.66 3.94 77.62 3.78 0.03 7.28 0.27 54 R H H 80.84 9.89 13.38 24.37 92.45 52.57 -65.00 -40.64 12.60 5.40 82.00 6.71 1.99 4.37 77.38 3.48 0.03 5.71 0.33 55 R H H 130.22 3.25 14.60 18.82 92.58 50.67 -66.32 -38.98 17.49 3.93 78.59 8.07 2.80 7.27 73.57 3.86 0.06 3.92 0.45 56 K H H 128.32 2.26 14.36 17.07 93.59 50.23 -68.94 -35.58 24.65 2.20 73.14 9.41 4.07 11.73 68.51 3.86 0.08 1.88 0.46 57 H H H 102.49 5.56 11.38 18.45 97.41 45.95 -81.77 -18.20 39.05 1.90 59.05 14.64 7.11 18.03 54.62 3.68 0.07 1.26 0.58 58 K C H 121.63 4.90 10.59 16.98 101.05 59.09 -85.16 9.89 56.20 2.39 41.41 27.68 9.36 19.43 37.32 3.96 0.04 1.28 0.92 59 K C T 150.82 2.03 10.47 13.88 104.16 114.32 -76.75 62.00 73.62 1.74 24.64 26.17 12.24 34.44 21.67 3.82 0.02 0.92 0.72 60 G C T 57.56 1.89 10.83 13.67 103.72 2.93 82.79 1.94 84.50 1.62 13.88 31.80 16.82 35.94 10.48 3.47 0.00 0.93 0.56 61 Q C C 117.16 3.67 8.47 14.00 111.46 123.00 -90.11 121.88 82.89 2.95 14.15 61.69 14.02 6.44 11.70 3.27 0.00 1.68 1.20 62 S C C 80.71 2.84 9.16 13.66 112.75 -159.30 -94.35 129.27 75.14 3.80 21.06 55.13 11.87 7.31 17.33 4.64 0.00 2.55 1.16 63 E C C 135.41 2.91 8.88 13.46 111.57 -149.59 -91.62 124.19 68.20 4.54 27.26 47.61 12.34 7.46 22.81 5.35 0.01 3.40 1.02 64 E C C 133.62 2.74 8.95 13.37 112.45 -141.64 -90.24 128.30 65.46 7.18 27.36 50.60 7.96 5.92 23.66 4.67 0.01 5.91 1.28 65 I C C 118.25 3.68 8.09 13.44 113.20 -162.24 -100.13 122.27 63.00 8.83 28.17 47.80 8.57 5.57 25.31 4.03 0.01 7.20 1.50 66 Q C C 129.70 2.46 8.89 13.00 116.38 -150.37 -101.50 132.42 64.43 10.15 25.42 48.61 9.06 5.45 23.22 3.55 0.01 8.55 1.56 67 K C C 147.42 2.72 8.20 12.72 115.15 -143.91 -94.69 132.35 68.94 9.47 21.59 53.47 9.00 5.05 19.90 3.05 0.00 8.00 1.53 68 K C C 147.91 2.57 8.15 12.50 116.53 -154.08 -100.45 133.84 71.95 7.99 20.06 56.91 8.82 5.03 18.34 2.90 0.00 6.37 1.63 69 R C C 168.11 2.45 8.04 12.16 114.68 -151.17 -96.55 131.37 73.38 7.23 19.38 56.85 9.94 5.62 17.30 3.07 0.00 5.60 1.61 70 T C C 99.79 2.86 7.88 12.56 117.67 -160.62 -102.94 134.06 73.69 6.36 19.95 54.89 11.67 6.58 17.09 3.51 0.01 4.60 1.64 71 R C C 166.51 2.49 7.97 12.25 116.46 -158.36 -99.98 131.75 72.92 6.51 20.56 52.90 13.12 6.35 17.73 3.52 0.01 4.77 1.62 72 R C C 171.78 1.99 8.89 12.45 115.06 -135.81 -89.69 133.16 72.18 7.08 20.73 55.81 9.58 6.05 17.82 3.60 0.00 5.55 1.59 73 A C C 80.44 3.36 7.95 13.17 114.79 -132.62 -86.45 133.72 71.74 7.45 20.81 55.28 10.29 5.51 18.05 3.39 0.00 5.74 1.74 74 V C C 104.55 3.38 8.34 13.44 117.52 -151.06 -103.91 133.91 70.28 8.89 20.83 55.42 9.48 4.64 18.50 3.05 0.01 7.06 1.86 75 K C C 154.61 2.00 9.69 13.14 112.88 -150.94 -95.72 128.57 68.44 9.42 22.13 51.88 10.08 5.61 19.52 3.45 0.01 7.68 1.77 76 F C C 135.33 4.29 8.52 14.48 117.47 -159.58 -107.38 133.92 66.55 8.76 24.68 49.92 10.12 5.96 20.74 4.50 0.01 6.87 1.87 77 Q C C 127.98 3.40 9.99 15.06 113.44 -150.15 -98.41 125.20 64.18 8.45 27.38 47.64 9.16 6.88 22.80 5.12 0.02 6.61 1.76 78 R C C 151.56 3.89 10.79 16.39 117.67 -156.66 -103.70 136.47 60.69 10.14 29.17 42.24 10.14 7.89 23.51 6.15 0.04 7.94 2.10 79 A C C 70.34 5.05 11.82 18.31 113.54 -123.75 -80.58 135.16 62.20 12.12 25.68 46.61 7.98 7.08 20.26 5.84 0.03 9.67 2.53 80 I C C 90.69 8.79 9.80 19.44 103.46 -152.34 -94.72 18.37 63.20 14.56 22.24 47.43 7.81 6.77 17.69 5.11 0.04 9.73 5.42 81 T C T 97.40 3.93 11.14 16.86 111.73 118.78 -76.73 130.04 76.33 6.63 17.04 15.53 8.62 51.46 13.73 3.82 0.07 4.83 1.94 82 G C T 62.56 1.22 14.41 15.09 97.79 14.29 83.12 -0.67 87.22 2.24 10.53 11.90 12.56 62.56 7.68 3.01 0.01 1.64 0.64 83 A C C 40.15 10.00 8.61 19.76 119.00 123.80 -85.92 144.73 93.13 4.53 2.34 70.96 21.03 1.22 2.13 0.51 0.00 2.44 1.72 84 S C C 56.60 2.79 16.32 19.15 120.82 -124.90 -83.51 162.38 82.80 14.09 3.11 79.36 2.48 0.52 2.94 0.28 0.00 3.28 11.15 85 L H H 94.48 7.64 11.54 20.61 92.52 -108.02 -59.81 -38.04 1.17 0.02 98.81 0.44 0.15 0.51 98.51 0.38 0.00 0.01 0.00 86 A H H 73.87 1.56 15.14 16.33 91.90 53.49 -64.59 -40.66 0.57 0.04 99.39 0.19 0.06 0.31 99.03 0.39 0.00 0.03 0.00 87 D H H 78.08 2.74 15.30 18.51 92.15 49.49 -65.78 -40.21 0.39 0.06 99.54 0.18 0.04 0.19 99.11 0.42 0.00 0.05 0.00 88 I H H 48.64 7.99 11.81 21.82 92.21 50.91 -64.56 -42.64 0.45 0.06 99.49 0.20 0.04 0.20 99.21 0.28 0.00 0.05 0.00 89 M H H 89.33 3.42 14.10 18.64 91.89 50.13 -64.59 -40.77 1.14 0.06 98.80 0.37 0.10 0.61 98.55 0.31 0.00 0.05 0.01 90 A H H 59.09 1.84 13.23 15.37 91.81 51.61 -64.08 -40.41 3.15 0.07 96.78 0.75 0.28 1.95 96.33 0.63 0.00 0.05 0.01 91 K H H 124.19 2.57 11.93 15.57 92.66 50.68 -67.39 -37.31 8.55 0.11 91.33 1.77 0.77 5.77 90.42 1.15 0.01 0.06 0.04 92 R H H 141.72 3.81 9.93 15.33 93.36 52.92 -69.70 -29.89 20.05 0.25 79.70 3.72 2.04 14.02 78.73 1.25 0.02 0.11 0.12 93 N C H 124.00 1.28 10.05 11.92 96.65 52.07 -84.02 -6.25 54.07 0.46 45.47 19.55 1.52 30.17 47.16 1.15 0.00 0.16 0.29 94 Q C C 125.38 2.80 10.19 14.72 105.57 92.93 -79.80 88.43 99.85 0.06 0.10 99.34 0.26 0.26 0.08 0.01 0.00 0.03 0.02