# 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 96.15 8.20 12.75 22.14 118.41 -154.27 -94.47 136.31 99.92 0.07 0.01 99.81 0.13 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 88.79 4.61 12.05 18.45 113.75 -109.87 -67.67 147.86 93.44 1.39 5.17 91.54 0.66 2.53 2.78 1.16 0.00 0.69 0.64 2 R C C 152.47 4.92 10.56 17.36 112.11 -122.32 -83.83 133.12 82.60 6.64 10.75 66.75 9.21 6.06 5.64 5.28 0.00 3.84 3.20 3 S C C 59.99 6.18 12.46 20.15 117.84 -139.26 -100.19 145.24 72.84 10.39 16.77 60.74 7.03 4.60 6.76 10.18 0.00 6.43 4.25 4 L C G 88.29 10.41 11.37 22.25 100.33 -134.60 -78.85 -10.19 55.23 7.29 37.48 27.10 13.58 17.13 7.92 27.52 0.05 4.75 1.95 5 K C C 133.62 4.73 14.38 20.52 104.18 75.59 -85.04 32.47 57.72 8.53 33.75 25.06 13.67 21.60 6.95 24.78 0.11 5.52 2.31 6 K C C 129.38 5.11 14.30 20.96 110.72 128.40 -90.50 104.11 67.44 7.47 25.09 31.48 22.14 15.68 6.09 17.29 0.11 3.98 3.21 7 G C C 29.12 9.14 13.59 23.78 130.92 58.90 135.03 -175.51 92.59 4.14 3.28 46.60 34.19 11.77 0.53 2.90 0.00 2.17 1.84 8 P C S 83.86 6.55 16.95 24.29 98.12 -38.11 -71.73 -11.96 94.05 3.20 2.75 25.31 35.35 33.64 0.30 2.56 0.00 2.05 0.78 9 F C C 75.46 13.63 16.03 29.52 105.15 58.79 -93.24 47.51 71.74 24.65 3.61 37.27 16.36 20.03 0.95 2.84 0.04 16.08 6.43 10 V C C 40.03 17.14 14.06 30.85 118.00 128.65 -101.65 129.95 74.63 24.62 0.75 64.87 7.91 0.65 0.50 0.32 0.00 13.66 12.08 11 D C C 49.56 11.43 15.70 28.09 112.47 -142.76 -89.11 123.13 97.65 1.76 0.59 96.10 1.73 0.26 0.42 0.08 0.00 0.94 0.46 12 D H H 102.80 3.50 16.90 21.82 93.11 -143.93 -64.16 -32.43 6.30 0.02 93.68 1.30 0.76 3.99 92.87 1.06 0.00 0.01 0.01 13 H H H 103.65 3.95 18.74 23.02 91.93 56.51 -65.14 -39.41 3.09 0.01 96.90 0.43 0.23 2.24 95.95 1.14 0.00 0.01 0.00 14 L H H 13.23 18.88 14.62 33.83 92.29 50.09 -65.22 -42.20 0.88 0.01 99.11 0.21 0.08 0.52 98.15 1.03 0.00 0.01 0.00 15 L H H 43.37 13.32 17.12 31.02 91.60 51.93 -62.81 -41.68 0.37 0.00 99.62 0.09 0.03 0.20 99.44 0.25 0.00 0.00 0.00 16 K H H 121.83 1.78 23.01 22.92 91.49 50.57 -63.93 -41.77 0.48 0.00 99.51 0.08 0.03 0.29 99.46 0.12 0.00 0.00 0.00 17 K H H 83.17 7.91 20.69 29.12 91.99 49.11 -65.15 -41.40 0.69 0.01 99.31 0.10 0.04 0.46 99.28 0.11 0.00 0.00 0.00 18 V H H 10.93 19.49 15.35 35.23 91.93 50.16 -64.34 -42.65 0.56 0.01 99.43 0.10 0.04 0.32 99.45 0.08 0.00 0.00 0.00 19 D H H 70.16 4.87 20.77 26.09 91.48 51.09 -63.53 -40.97 1.02 0.01 98.97 0.31 0.07 0.51 98.97 0.13 0.00 0.00 0.00 20 V H H 68.94 2.63 19.35 21.60 91.68 50.10 -64.31 -41.83 1.49 0.02 98.49 0.30 0.13 0.95 98.32 0.30 0.00 0.01 0.00 21 Q H H 36.07 10.48 13.46 25.85 91.91 50.74 -64.96 -41.01 2.24 0.04 97.72 0.47 0.25 1.37 97.43 0.45 0.00 0.01 0.01 22 N H H 74.79 8.67 13.15 22.88 92.83 51.60 -65.69 -39.27 5.60 0.05 94.35 0.96 0.46 3.85 93.90 0.79 0.01 0.02 0.01 23 E H H 147.82 1.07 14.76 15.19 92.02 51.51 -67.55 -31.76 14.37 0.08 85.55 1.07 1.07 11.89 84.91 0.98 0.03 0.03 0.04 24 K C T 133.75 2.22 12.91 15.70 95.31 47.35 -89.60 0.25 64.00 0.18 35.82 2.35 5.28 53.84 36.69 1.62 0.02 0.06 0.14 25 N C T 131.81 1.53 13.54 15.92 94.81 -116.21 61.74 34.72 98.73 0.12 1.15 13.92 6.78 78.29 0.55 0.35 0.00 0.06 0.05 26 T C C 52.30 9.20 9.76 20.55 118.82 148.53 -96.55 138.57 97.31 1.01 1.67 88.77 5.82 2.64 0.45 1.24 0.00 0.52 0.56 27 K C C 152.62 2.94 16.27 20.53 98.72 -161.89 -89.59 -7.02 97.02 1.31 1.67 46.28 39.50 11.05 0.21 1.79 0.00 0.82 0.35 28 Q C C 93.31 7.51 18.39 26.72 114.22 90.05 -89.75 126.72 91.51 6.89 1.60 44.84 36.49 9.98 0.13 1.84 0.00 6.13 0.57 29 V C C 35.71 16.71 17.06 33.68 118.75 -146.46 -99.87 137.71 59.42 40.33 0.25 51.09 7.07 0.52 0.05 0.20 0.00 39.89 1.18 30 I E E 19.80 20.76 17.24 38.26 116.07 -136.48 -97.13 128.26 15.15 84.80 0.05 14.75 0.46 0.04 0.03 0.02 0.00 82.25 2.45 31 K E E 98.30 9.37 24.44 34.10 117.40 -147.28 -96.38 132.81 16.76 83.20 0.03 16.16 0.56 0.04 0.02 0.02 0.00 82.13 1.07 32 T C E 22.85 21.39 14.43 35.17 124.13 -159.38 -113.76 140.28 50.35 49.36 0.28 45.70 3.15 0.48 0.07 0.20 0.00 48.71 1.68 33 W C C 123.41 8.24 21.49 30.20 101.57 -167.29 -96.46 -14.70 80.02 19.19 0.78 39.13 36.65 4.92 0.13 0.72 0.00 16.87 1.58 34 S C C 32.32 12.65 17.85 31.11 126.84 43.47 -123.12 143.17 88.83 9.17 2.00 53.50 27.55 7.89 0.32 2.00 0.00 6.99 1.74 35 R C S 119.97 12.26 17.22 29.37 97.74 -159.65 -85.18 -13.06 87.86 6.34 5.80 24.27 34.44 29.60 0.56 5.50 0.01 4.31 1.30 36 R C S 148.00 4.11 21.80 26.44 101.40 56.72 -95.41 15.38 85.76 8.83 5.41 26.24 32.43 27.64 0.40 5.40 0.01 6.75 1.13 37 S C C 16.89 19.40 14.32 33.59 124.08 116.03 -89.46 154.47 76.37 20.20 3.43 59.26 13.78 2.83 0.36 3.21 0.00 19.47 1.07 38 T E E 58.82 8.63 25.25 34.48 120.24 -135.30 -106.88 135.34 21.35 78.45 0.20 19.05 1.82 0.21 0.10 0.14 0.00 72.33 6.35 39 I E E 15.32 23.74 15.84 39.80 116.56 -149.74 -100.29 126.71 16.99 82.98 0.03 16.47 0.45 0.02 0.02 0.01 0.00 66.43 16.59 40 I C C 42.79 11.14 20.97 33.09 114.17 -142.54 -86.94 132.46 98.78 1.21 0.01 98.90 0.23 0.01 0.00 0.00 0.00 0.80 0.06 41 P H G 63.67 11.71 16.59 29.05 91.62 -122.98 -58.41 -31.32 9.00 0.10 90.91 0.63 0.64 6.31 0.84 91.49 0.00 0.08 0.00 42 D H G 97.69 4.15 21.32 26.47 89.56 64.77 -67.96 -15.67 7.87 0.06 92.07 0.19 0.37 6.53 0.64 92.21 0.00 0.05 0.00 43 F H G 13.15 21.95 14.53 37.20 94.04 57.86 -93.76 -6.58 8.10 0.08 91.83 0.64 0.66 5.16 0.67 92.81 0.00 0.05 0.01 44 I C T 56.95 15.57 15.64 31.55 112.52 114.45 -61.62 132.19 97.71 0.94 1.36 0.50 1.20 96.75 0.19 0.56 0.00 0.32 0.49 45 G C T 43.98 4.24 22.12 27.26 94.03 22.61 85.69 -4.30 99.60 0.20 0.20 0.24 1.62 97.87 0.01 0.12 0.00 0.14 0.01 46 H C C 43.86 16.02 16.89 33.18 123.30 123.39 -86.43 153.08 95.90 4.06 0.03 86.91 8.61 0.16 0.00 0.03 0.00 4.13 0.15 47 T E E 44.20 11.29 24.41 36.29 118.54 -130.10 -105.14 131.10 1.86 98.14 0.00 1.89 0.05 0.00 0.00 0.00 0.00 97.79 0.26 48 F E E 5.72 24.94 18.65 44.07 127.62 -171.95 -122.98 143.48 0.12 99.88 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 49 A E E 14.71 14.35 25.80 40.89 118.63 -142.33 -102.90 132.41 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 50 V E E 6.31 22.57 19.99 42.89 121.27 -163.74 -115.89 130.70 0.49 99.51 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.01 51 H E E 37.53 13.57 19.50 34.10 116.07 -155.54 -104.93 122.96 9.97 89.96 0.08 8.03 1.34 0.26 0.01 0.05 0.00 90.05 0.25 52 D C E 55.23 9.78 17.72 28.88 100.32 178.71 -106.80 20.07 53.52 45.60 0.88 33.68 12.69 7.22 0.09 0.88 0.00 44.61 0.83 53 G C T 40.28 7.77 15.18 23.60 98.56 -91.88 78.35 -3.42 98.51 0.53 0.96 2.51 41.68 54.29 0.03 1.04 0.00 0.34 0.11 54 R C S 173.12 1.64 15.97 17.62 104.08 48.13 -100.22 -27.97 98.45 0.80 0.75 2.59 48.93 47.02 0.03 0.76 0.00 0.53 0.13 55 K E E 132.57 2.13 17.58 19.87 127.15 30.09 -125.96 147.65 37.71 62.15 0.15 25.40 12.22 1.00 0.02 0.14 0.00 60.28 0.93 56 H E E 84.79 15.57 11.75 26.67 119.88 -133.32 -101.03 134.15 13.11 86.88 0.01 12.03 0.62 0.04 0.00 0.01 0.00 86.91 0.39 57 V E E 46.12 10.17 18.74 30.44 120.47 -167.65 -121.68 126.14 3.26 96.74 0.00 2.89 0.12 0.00 0.00 0.00 0.00 96.95 0.04 58 P E E 70.56 9.35 20.70 30.47 114.88 -120.21 -69.74 139.95 1.91 98.09 0.00 1.77 0.03 0.00 0.00 0.00 0.00 98.18 0.01 59 V E E 12.94 21.81 15.77 37.49 127.39 -172.24 -127.54 141.27 0.60 99.40 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.01 60 F E E 90.64 7.78 25.75 34.07 115.98 -135.25 -94.78 129.92 1.09 98.91 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.86 0.07 61 V E E 6.67 25.00 13.32 39.00 114.79 -146.80 -96.92 126.15 23.71 76.27 0.03 23.64 0.32 0.02 0.01 0.01 0.00 75.45 0.55 62 T C C 47.44 6.31 22.95 29.47 132.71 172.46 -126.47 170.07 91.96 7.91 0.13 90.19 2.13 0.10 0.05 0.06 0.00 7.05 0.42 63 E H G 122.79 7.69 15.58 24.66 91.04 -99.26 -60.29 -32.33 11.30 0.10 88.60 0.65 1.11 8.97 3.86 85.33 0.00 0.07 0.01 64 A H G 79.80 2.57 19.45 22.33 89.95 62.67 -67.76 -21.05 10.14 0.06 89.80 0.39 0.68 8.60 3.52 86.76 0.00 0.05 0.01 65 M H G 24.69 18.81 13.31 32.39 95.59 50.27 -95.27 -6.99 10.62 0.14 89.24 1.06 1.13 7.74 3.61 86.34 0.00 0.10 0.02 66 V C T 49.13 16.40 13.82 30.29 111.89 114.42 -64.70 132.83 87.68 4.24 8.08 3.51 4.39 80.60 3.70 3.52 0.06 2.23 1.98 67 G C T 45.37 5.06 20.69 26.71 95.01 21.50 84.71 -4.55 95.12 0.67 4.21 3.19 5.32 86.88 1.62 2.33 0.00 0.44 0.22 68 H C C 69.38 12.65 16.22 29.14 119.69 123.89 -88.31 157.61 86.25 3.66 10.09 67.46 12.68 5.44 5.91 4.11 0.00 1.52 2.87 69 K C C 102.36 8.93 21.93 30.65 105.13 -119.07 -73.24 110.13 54.11 15.49 30.40 22.17 13.85 18.64 14.25 13.72 0.98 5.96 10.44 70 L C G 33.95 20.59 15.95 35.29 96.77 -69.04 -69.61 -14.61 48.37 4.21 47.42 8.28 10.40 29.29 15.20 31.65 0.46 2.44 2.28 71 G H G 26.18 13.35 18.40 31.11 97.26 47.08 3.31 -16.84 38.99 2.75 58.27 10.95 7.89 21.19 13.59 43.61 0.07 1.56 1.14 72 E H G 104.74 7.05 20.13 27.72 94.43 80.51 -75.31 -21.14 46.50 3.19 50.30 11.30 10.59 25.25 12.16 37.35 0.08 2.03 1.24 73 F C T 83.11 12.90 16.54 29.29 100.34 45.65 -98.55 -0.73 57.30 7.52 35.18 16.54 16.25 26.34 10.33 22.50 0.37 3.79 3.89 74 A C S 30.45 15.37 13.31 28.81 120.30 97.15 -97.46 138.88 92.72 5.30 1.98 44.20 47.04 1.99 1.07 0.81 0.00 2.77 2.12 75 P C C 71.99 7.59 16.23 24.84 111.62 -107.51 -68.06 146.44 90.22 5.38 4.40 74.08 10.58 5.36 1.79 2.61 0.00 3.24 2.34 76 T C C 76.93 9.44 12.70 22.97 111.56 -144.05 -96.54 129.80 84.92 8.99 6.10 64.75 13.03 6.36 2.55 3.67 0.00 4.84 4.80 77 R C C 139.61 6.09 13.40 20.90 114.72 -158.23 -100.31 128.67 82.27 10.32 7.41 54.22 21.62 6.44 3.79 3.71 0.01 6.30 3.93 78 T C C 88.75 4.71 13.33 19.59 114.98 -147.04 -100.01 128.40 80.98 11.13 7.89 58.02 16.43 6.23 4.40 3.70 0.01 7.79 3.42 79 F C C 105.46 9.48 9.85 20.18 113.57 -152.78 -95.20 125.29 77.78 11.12 11.09 60.76 10.64 5.52 7.54 3.84 0.01 7.14 4.54 80 K C C 142.46 3.01 12.70 17.11 109.38 -159.50 -93.70 94.30 72.18 6.65 21.18 39.98 14.42 18.29 13.78 7.13 0.04 3.98 2.39 81 G C C 45.61 4.05 13.27 18.46 110.50 13.33 92.23 -102.97 69.08 3.63 27.29 26.95 20.06 23.09 17.23 9.15 0.08 1.90 1.54 82 H C C 100.33 6.88 11.26 19.50 110.78 47.45 -92.96 116.12 62.22 4.59 33.19 37.05 14.29 11.46 23.58 9.21 0.04 2.44 1.93 83 I C C 79.87 7.23 11.30 19.89 110.31 -161.65 -87.67 131.13 53.55 3.54 42.91 34.78 11.19 8.56 34.32 7.84 0.03 1.90 1.37 84 K H H 129.55 3.37 13.12 17.48 97.78 -118.79 -68.82 -34.00 46.42 1.93 51.65 28.35 9.40 9.86 40.96 9.61 0.03 1.04 0.75 85 D H H 91.02 3.46 12.42 16.93 99.66 51.03 -79.00 -17.96 43.29 1.30 55.42 22.29 9.20 13.04 43.26 10.94 0.04 0.68 0.55 86 D H H 79.47 5.78 11.01 18.30 99.48 61.89 -76.54 -14.14 45.48 1.21 53.31 24.77 9.08 12.82 42.31 9.82 0.03 0.61 0.55 87 R H H 135.58 4.53 11.32 17.33 98.40 71.69 -74.40 -24.63 46.84 1.57 51.59 27.33 9.68 11.55 42.13 7.80 0.03 0.76 0.72 88 K C H 134.58 2.64 11.71 15.50 97.63 64.80 -77.06 -18.12 51.85 1.80 46.35 28.39 10.64 14.14 37.74 7.35 0.03 0.89 0.81 89 S C C 65.81 4.54 9.44 15.65 101.57 68.78 -83.15 2.35 63.47 2.06 34.46 32.69 12.80 18.49 26.39 7.65 0.02 1.06 0.89 90 K C C 139.16 3.06 8.81 13.63 107.78 70.77 -87.17 92.97 72.93 4.20 22.87 44.98 13.89 13.79 17.03 6.22 0.02 2.35 1.72 91 R C C 164.90 2.44 8.55 12.74 111.47 63.79 -90.66 123.85 84.56 4.91 10.53 74.18 2.67 7.75 8.04 2.27 0.00 2.73 2.37 92 R C C 167.06 2.65 10.89 15.17 109.75 -141.88 -85.50 115.30 99.82 0.13 0.05 99.64 0.14 0.11 0.03 0.00 0.00 0.06 0.02