# 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 S C C 56.61 7.08 20.37 27.49 109.18 -132.56 -86.08 115.20 99.77 0.11 0.13 99.70 0.09 0.06 0.08 0.00 0.00 0.04 0.02 1 I H H 29.37 20.16 13.70 32.64 95.67 81.81 -70.77 -31.99 33.12 0.34 66.54 24.81 1.32 6.66 65.69 1.23 0.00 0.13 0.17 2 N H H 65.29 13.00 15.62 28.44 93.51 59.71 -64.22 -40.03 18.10 0.11 81.79 8.44 2.22 7.20 80.78 1.27 0.00 0.04 0.05 3 S H H 69.18 2.02 20.11 20.98 92.42 52.34 -65.93 -39.05 7.94 0.06 91.99 3.60 1.21 3.30 90.47 1.36 0.00 0.03 0.02 4 R H H 87.08 10.33 18.87 29.61 92.35 50.20 -66.35 -40.45 2.75 0.03 97.22 1.12 0.40 1.26 96.46 0.73 0.00 0.01 0.01 5 L H H 6.84 24.38 14.45 38.72 91.56 50.63 -64.19 -42.00 1.16 0.02 98.82 0.44 0.15 0.52 98.61 0.28 0.00 0.01 0.00 6 Q H H 86.34 7.26 20.83 28.67 91.66 53.12 -62.94 -41.06 0.87 0.01 99.11 0.31 0.09 0.40 99.00 0.18 0.00 0.01 0.00 7 L H H 80.14 3.17 22.21 24.81 91.80 50.73 -64.16 -41.92 0.86 0.04 99.10 0.27 0.10 0.45 98.94 0.22 0.00 0.02 0.01 8 V H H 14.78 17.29 15.79 33.69 91.98 49.78 -64.64 -42.04 1.12 0.18 98.70 0.38 0.13 0.59 98.43 0.33 0.01 0.10 0.02 9 M H H 51.44 17.28 14.78 31.32 92.05 50.90 -64.56 -39.57 2.00 0.10 97.89 0.51 0.17 1.23 97.20 0.80 0.01 0.07 0.02 10 K H H 155.23 1.50 19.16 20.19 91.62 52.13 -66.58 -30.56 7.29 0.06 92.65 0.55 0.42 6.19 91.98 0.79 0.02 0.03 0.02 11 S H H 67.33 4.19 16.88 21.77 93.62 50.03 -84.93 -10.89 39.59 0.08 60.33 1.02 2.37 35.09 60.44 0.96 0.03 0.03 0.06 12 G C T 33.20 10.63 16.21 27.28 98.16 -111.44 81.25 11.00 99.31 0.40 0.29 6.70 29.48 63.21 0.07 0.16 0.00 0.34 0.06 13 K C C 95.49 10.17 21.07 31.14 104.55 108.12 -96.42 39.95 77.48 22.10 0.42 56.25 17.82 1.61 0.06 0.41 0.00 23.34 0.50 14 Y E E 36.75 21.27 17.62 38.04 129.37 68.88 -123.30 144.56 15.49 84.20 0.31 13.05 2.27 0.37 0.10 0.21 0.00 82.89 1.11 15 V E E 22.42 17.12 22.92 40.01 121.61 -159.13 -117.12 132.01 8.49 91.45 0.06 8.70 0.25 0.03 0.04 0.02 0.00 89.16 1.80 16 L E E 50.43 16.44 23.10 38.49 121.25 -159.68 -111.84 131.82 29.68 70.28 0.04 26.13 2.50 0.09 0.02 0.02 0.00 70.46 0.77 17 G C S 15.73 10.47 25.30 36.95 124.84 20.22 96.90 161.22 94.56 2.37 3.07 16.11 75.99 2.20 3.63 0.26 0.00 1.13 0.68 18 Y H H 50.20 21.12 16.74 36.78 92.10 -91.10 -61.13 -39.52 2.29 0.01 97.71 0.23 0.47 1.37 97.67 0.25 0.00 0.00 0.00 19 K H H 131.13 3.71 23.78 28.08 91.45 52.12 -62.96 -41.69 0.99 0.00 99.01 0.08 0.08 0.72 98.86 0.27 0.00 0.00 0.00 20 Q H H 74.76 7.29 23.49 31.04 91.84 47.70 -66.08 -40.23 0.30 0.00 99.70 0.03 0.02 0.19 99.52 0.24 0.00 0.00 0.00 21 S H H 1.45 26.31 16.56 43.57 91.23 50.95 -63.56 -43.32 0.11 0.00 99.89 0.01 0.00 0.06 99.88 0.04 0.00 0.00 0.00 22 L H H 27.27 18.18 21.56 39.07 91.33 50.26 -63.36 -42.33 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 23 K H H 110.41 2.59 26.24 27.69 91.60 50.82 -63.73 -41.89 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 24 M H H 24.99 13.57 20.05 34.64 91.57 49.75 -64.39 -42.43 0.09 0.00 99.91 0.00 0.00 0.06 99.88 0.05 0.00 0.00 0.00 25 I H H 4.89 25.16 14.83 40.14 91.50 49.37 -63.82 -43.14 0.23 0.00 99.77 0.01 0.01 0.18 99.64 0.16 0.00 0.00 0.00 26 R H H 126.06 8.55 19.38 28.61 91.10 51.43 -64.18 -34.33 2.21 0.00 97.79 0.03 0.04 2.25 97.47 0.21 0.00 0.00 0.00 27 Q C T 117.46 2.42 20.07 21.98 92.13 52.53 -84.01 -6.06 74.75 0.01 25.24 0.16 0.70 73.57 25.18 0.39 0.00 0.00 0.01 28 G C T 37.95 11.08 15.46 26.94 95.24 -112.66 79.65 11.39 99.80 0.00 0.19 0.49 1.80 97.61 0.07 0.03 0.00 0.00 0.00 29 K C S 110.50 5.90 21.93 28.57 94.53 122.98 -83.06 -17.09 99.73 0.22 0.04 48.14 50.73 0.90 0.01 0.03 0.00 0.08 0.10 30 A C C 4.26 25.25 12.95 38.25 122.34 65.90 -105.53 139.58 93.94 6.02 0.03 85.14 8.30 0.30 0.00 0.05 0.00 5.91 0.30 31 K C S 88.87 9.66 26.64 37.40 100.29 -169.28 -96.37 -28.33 92.80 7.19 0.01 15.86 76.65 0.20 0.00 0.01 0.00 7.20 0.09 32 L E E 9.88 21.38 26.49 47.17 135.83 14.74 -144.75 144.74 2.12 97.87 0.00 1.57 0.46 0.02 0.00 0.00 0.00 97.89 0.05 33 V E E 1.14 27.12 26.92 53.92 121.13 -161.63 -118.53 128.06 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 34 I E E 2.08 25.76 29.22 54.30 117.23 -163.33 -111.05 124.81 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 35 L E E 5.67 24.10 26.89 49.76 126.52 -172.37 -119.30 142.51 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 36 A E E 5.01 22.10 20.52 42.97 114.87 -117.59 -74.26 144.74 26.12 73.86 0.01 25.37 0.57 0.05 0.00 0.01 0.00 73.72 0.28 37 N C T 72.73 10.94 22.08 33.38 93.41 -124.64 -65.62 -24.07 91.03 8.52 0.45 3.43 23.48 64.76 0.02 0.48 0.00 7.42 0.40 38 N C T 97.03 5.03 22.31 28.12 95.22 56.60 -91.59 7.39 97.80 1.85 0.35 7.19 29.12 61.55 0.02 0.42 0.00 1.47 0.22 39 C C S 11.29 23.31 8.84 31.02 118.18 120.34 -76.06 144.37 97.93 1.82 0.25 48.57 49.13 0.43 0.11 0.09 0.00 0.57 1.10 40 P C C 62.35 4.25 18.29 23.27 114.01 -102.57 -63.61 148.79 99.43 0.20 0.37 98.64 0.68 0.24 0.21 0.05 0.00 0.06 0.12 41 A H H 80.99 3.59 13.62 19.14 91.94 -111.84 -57.56 -37.49 18.78 0.06 81.16 2.19 2.41 12.76 67.11 15.42 0.05 0.03 0.05 42 L H H 122.02 1.40 16.78 17.53 91.54 55.52 -65.48 -33.34 15.66 0.07 84.27 1.52 1.67 11.36 70.11 15.22 0.05 0.03 0.04 43 R H H 69.96 14.20 14.41 28.51 93.99 47.74 -76.89 -26.92 11.82 0.11 88.07 2.63 1.41 6.83 72.09 16.92 0.02 0.07 0.04 44 K H H 63.70 17.27 14.52 30.82 91.95 64.64 -60.97 -42.45 4.33 0.03 95.64 1.37 0.61 2.07 93.96 1.97 0.00 0.01 0.01 45 S H H 65.19 2.18 22.78 23.47 91.76 51.30 -64.12 -40.58 3.84 0.01 96.15 0.64 0.34 2.47 94.95 1.58 0.01 0.00 0.01 46 E H H 79.02 7.33 22.08 29.80 91.56 50.18 -64.81 -41.23 1.77 0.01 98.22 0.39 0.15 1.06 97.61 0.78 0.00 0.00 0.00 47 I H H 2.51 26.40 15.64 42.63 91.28 49.89 -64.53 -42.93 0.32 0.00 99.68 0.07 0.03 0.15 99.66 0.09 0.00 0.00 0.00 48 E H H 77.62 12.69 21.61 33.71 91.46 52.13 -62.12 -42.13 0.09 0.00 99.91 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 49 Y H H 128.71 2.11 25.14 25.36 91.60 49.69 -63.59 -42.48 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 50 Y H H 40.01 14.54 20.67 35.51 92.07 48.81 -64.75 -42.39 0.06 0.00 99.94 0.00 0.00 0.05 99.91 0.04 0.00 0.00 0.00 51 A H H 3.83 23.52 14.40 38.17 91.35 50.50 -63.51 -42.31 0.18 0.00 99.82 0.01 0.01 0.14 99.74 0.10 0.00 0.00 0.00 52 M H H 114.19 3.97 20.50 25.17 91.76 49.61 -64.19 -40.62 0.78 0.00 99.22 0.03 0.03 0.69 98.95 0.29 0.00 0.00 0.00 53 L H H 103.58 3.90 19.80 24.06 91.46 51.33 -65.68 -35.15 4.01 0.00 95.99 0.08 0.13 3.72 95.80 0.25 0.00 0.00 0.00 54 A H H 25.27 15.69 14.28 30.40 94.13 48.32 -85.88 -5.40 47.52 0.08 52.40 1.30 3.35 40.72 53.82 0.71 0.01 0.02 0.06 55 K C T 160.58 1.86 20.98 22.84 93.92 -123.64 58.69 38.87 99.47 0.05 0.48 5.82 5.54 88.22 0.29 0.08 0.00 0.02 0.01 56 T C C 21.73 20.12 13.39 32.92 124.45 135.83 -116.49 149.64 97.32 2.64 0.04 82.08 14.58 0.54 0.01 0.03 0.00 2.61 0.15 57 G E E 29.23 7.39 25.35 33.21 117.02 -113.21 -79.80 147.14 47.20 52.74 0.06 41.39 3.46 0.33 0.01 0.05 0.00 54.34 0.41 58 V E E 29.19 23.18 15.34 37.76 123.67 -156.14 -117.85 132.37 7.51 92.48 0.01 7.13 0.30 0.01 0.00 0.00 0.00 92.19 0.37 59 H E E 59.55 12.97 23.50 36.33 120.75 -164.67 -112.83 131.06 1.18 98.82 0.00 1.08 0.04 0.00 0.00 0.00 0.00 98.82 0.06 60 H E E 90.27 13.32 21.80 34.57 117.97 -149.95 -100.66 128.90 2.64 97.35 0.01 2.48 0.09 0.01 0.00 0.00 0.00 97.30 0.11 61 Y E E 41.42 19.38 14.59 33.42 124.65 -171.71 -117.96 139.23 31.38 68.54 0.07 29.82 1.00 0.11 0.02 0.04 0.00 68.35 0.66 62 S C C 77.70 4.01 21.12 25.66 105.01 -162.22 -102.46 21.26 74.68 25.11 0.21 48.08 22.63 2.99 0.03 0.20 0.00 25.46 0.60 63 G C S 29.99 9.73 18.42 28.42 131.07 67.04 140.96 -173.39 92.82 6.79 0.39 16.12 71.91 4.77 0.07 0.29 0.00 6.15 0.70 64 N C C 78.71 5.73 22.66 28.35 123.72 -55.08 -97.05 153.35 95.56 2.65 1.78 78.56 15.72 1.28 1.48 0.40 0.00 1.25 1.31 65 N H H 41.50 20.45 14.44 33.91 92.94 -115.98 -61.53 -36.30 7.31 0.05 92.65 1.54 2.19 3.50 91.80 0.91 0.01 0.02 0.02 66 I H H 94.06 6.28 21.54 28.25 92.44 53.96 -65.19 -40.64 3.87 0.03 96.10 0.61 0.56 2.60 95.22 0.97 0.02 0.01 0.01 67 E H H 88.67 5.21 23.17 28.45 92.36 49.00 -66.20 -40.26 2.24 0.05 97.71 0.54 0.31 1.40 96.56 1.14 0.01 0.03 0.01 68 L H H 4.97 23.39 15.71 39.39 91.96 51.76 -63.66 -43.22 1.05 0.02 98.93 0.20 0.15 0.65 98.32 0.67 0.00 0.01 0.00 69 G H H 8.73 15.67 16.94 33.51 91.58 51.37 -62.60 -42.39 1.86 0.02 98.12 0.34 0.19 1.22 97.28 0.96 0.00 0.01 0.00 70 T H H 91.88 2.14 22.12 23.37 92.21 49.73 -66.01 -40.56 2.38 0.02 97.60 0.29 0.21 1.77 96.07 1.64 0.01 0.01 0.00 71 A H H 42.76 11.58 17.72 29.69 92.27 52.14 -66.92 -34.91 5.82 0.03 94.15 0.27 0.40 5.16 92.79 1.34 0.02 0.01 0.01 72 C H H 22.99 18.20 14.27 32.35 94.91 41.52 -89.94 -8.49 48.28 0.08 51.64 0.73 2.09 45.10 50.31 1.65 0.03 0.03 0.07 73 G C T 58.56 1.61 20.43 21.11 94.54 -116.05 76.86 16.30 99.34 0.04 0.62 4.39 5.33 89.79 0.26 0.19 0.00 0.02 0.02 74 K C C 68.37 12.12 11.27 24.22 130.24 116.52 -118.52 157.26 98.47 0.90 0.63 60.27 35.40 2.68 0.18 0.43 0.00 0.29 0.76 75 Y C S 175.09 2.43 17.69 20.78 96.85 -135.16 -82.75 -12.86 97.23 1.31 1.46 40.85 49.64 6.71 0.24 1.26 0.00 0.60 0.70 76 Y C S 93.02 9.01 18.75 28.62 131.64 53.07 -127.63 156.86 95.62 2.35 2.03 23.52 62.36 9.77 0.25 1.87 0.00 1.54 0.70 77 R C C 98.96 12.35 22.79 34.55 112.67 -92.69 -74.85 133.95 87.29 10.65 2.06 57.76 22.42 6.86 0.31 2.11 0.00 8.66 1.87 78 V C C 9.18 24.13 19.19 43.21 119.08 -157.00 -109.45 128.19 64.56 35.16 0.28 59.10 4.59 0.47 0.09 0.21 0.00 32.15 3.38 79 C C C 20.60 18.43 26.25 44.01 100.79 174.17 -95.88 -27.84 63.27 36.65 0.09 41.28 21.65 0.46 0.01 0.08 0.00 36.05 0.47 80 T E E 9.60 21.71 27.45 48.59 133.69 16.74 -140.89 142.31 8.27 91.67 0.07 7.09 0.95 0.09 0.01 0.03 0.00 91.57 0.26 81 L E E 2.28 26.83 26.15 52.57 125.55 -167.22 -127.47 135.47 1.22 98.77 0.01 1.12 0.06 0.00 0.00 0.00 0.00 98.75 0.06 82 S E E 9.14 20.71 28.54 48.37 122.00 -163.88 -115.93 131.86 0.82 99.18 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.22 0.02 83 I E E 7.87 23.85 21.53 45.37 113.80 -152.94 -100.53 121.61 3.30 96.69 0.01 3.20 0.09 0.01 0.00 0.00 0.00 96.44 0.27 84 I C E 58.48 12.80 23.04 35.76 99.92 -176.76 -89.83 -27.76 62.06 37.85 0.09 31.65 30.07 0.84 0.01 0.07 0.00 36.82 0.53 85 D C S 64.39 7.83 21.75 30.24 117.06 31.81 -128.77 109.73 91.24 8.41 0.35 31.50 57.57 2.20 0.10 0.21 0.00 7.58 0.85 86 P C T 57.89 15.22 14.49 29.55 97.65 -144.23 -64.23 -16.44 70.07 1.77 28.16 12.94 10.97 45.96 9.87 18.27 0.03 1.09 0.86 87 G C T 43.25 5.30 19.68 25.56 95.35 61.52 -58.32 -20.72 65.65 1.06 33.28 10.67 9.49 44.49 13.58 20.46 0.05 0.58 0.68 88 D C G 52.86 12.36 15.96 28.85 96.74 57.38 -87.81 -4.61 50.16 1.61 48.22 25.97 8.57 15.53 21.54 26.77 0.03 0.80 0.80 89 S H G 23.11 19.71 11.32 29.74 100.10 87.62 -78.10 -10.63 40.44 1.06 58.50 12.92 6.91 19.60 28.91 30.52 0.06 0.53 0.54 90 D H H 107.20 2.85 19.93 22.84 96.93 112.25 -79.94 -10.67 44.83 0.90 54.27 9.34 7.51 26.02 28.44 27.59 0.09 0.48 0.51 91 I C H 73.79 10.62 15.55 26.65 98.25 66.45 -84.92 -17.90 48.62 3.16 48.22 12.95 9.59 25.29 28.55 20.06 0.33 1.87 1.37 92 I C C 40.43 19.29 10.48 28.25 111.38 77.72 -94.76 116.52 58.41 16.32 25.27 41.88 5.49 11.24 19.67 5.07 0.14 8.55 7.96 93 R C C 152.64 4.27 18.13 23.71 113.90 -154.27 -97.48 127.87 99.64 0.32 0.04 99.61 0.08 0.06 0.02 0.00 0.00 0.21 0.02