# 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 94.50 8.48 12.73 22.34 118.28 -154.78 -94.25 136.05 99.92 0.07 0.00 99.81 0.13 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 88.90 4.52 12.30 18.58 113.83 -109.30 -67.21 147.25 92.63 1.53 5.84 90.55 0.70 2.68 3.25 1.33 0.00 0.76 0.73 2 R C C 152.06 5.13 10.51 17.44 111.09 -118.05 -82.34 133.00 81.33 6.55 12.12 65.05 9.38 6.35 6.38 5.93 0.00 3.77 3.13 3 S C C 61.40 6.07 12.52 20.07 116.86 -139.42 -100.01 144.38 70.92 10.03 19.05 58.31 7.19 5.01 7.59 11.69 0.00 6.28 3.92 4 L C C 86.99 10.58 11.29 22.30 101.25 -139.12 -80.03 -5.53 55.31 7.62 37.07 28.02 13.67 16.06 8.61 26.56 0.06 4.95 2.06 5 K C C 132.52 4.81 14.40 20.66 103.62 83.42 -85.06 37.93 57.39 9.30 33.31 26.48 13.56 19.89 7.49 23.94 0.12 5.99 2.53 6 K C C 128.08 5.34 14.01 20.96 111.27 104.33 -93.57 116.54 67.84 8.30 23.85 32.79 21.94 14.85 6.42 15.83 0.14 4.31 3.71 7 G C C 29.90 8.71 13.34 23.20 130.23 61.11 140.96 -175.99 92.68 4.28 3.03 47.81 32.84 12.01 0.53 2.64 0.00 2.16 2.01 8 P C T 88.76 5.77 16.67 23.27 96.41 -43.43 -71.59 -13.32 95.27 2.37 2.37 19.60 34.16 41.67 0.28 2.16 0.00 1.49 0.64 9 F C C 79.35 13.08 15.84 28.86 104.32 58.17 -93.58 30.32 76.05 20.30 3.65 31.91 18.62 28.13 0.83 2.75 0.04 12.98 4.74 10 V C C 37.37 17.60 13.51 30.73 118.15 112.44 -100.43 129.77 76.96 22.16 0.88 64.65 10.48 0.73 0.61 0.36 0.00 11.31 11.85 11 D C C 49.83 11.05 15.88 28.00 111.50 -140.70 -86.26 124.19 97.54 1.77 0.69 96.42 1.35 0.25 0.50 0.09 0.00 0.91 0.49 12 E H H 128.06 3.68 16.95 22.10 93.02 -145.97 -63.96 -33.40 4.88 0.01 95.10 0.98 0.52 3.15 94.31 1.02 0.00 0.01 0.00 13 H H H 105.30 3.70 19.03 22.94 91.82 55.64 -64.96 -39.82 2.66 0.01 97.33 0.40 0.19 1.89 96.26 1.25 0.00 0.01 0.00 14 L H H 12.58 18.79 14.79 34.00 92.19 49.98 -65.23 -42.19 0.79 0.01 99.20 0.19 0.07 0.46 98.14 1.12 0.00 0.01 0.00 15 L H H 41.28 13.87 17.07 31.43 91.62 52.14 -62.74 -41.74 0.39 0.00 99.61 0.09 0.03 0.20 99.39 0.28 0.00 0.00 0.00 16 K H H 121.42 1.79 23.10 23.02 91.57 50.75 -63.84 -41.76 0.58 0.00 99.42 0.10 0.04 0.36 99.34 0.15 0.00 0.00 0.00 17 K H H 84.69 7.67 20.84 29.02 91.95 49.14 -65.10 -41.38 0.87 0.01 99.12 0.13 0.06 0.59 99.07 0.15 0.00 0.00 0.00 18 V H H 10.39 19.67 15.32 35.38 91.92 50.11 -64.37 -42.67 0.63 0.01 99.36 0.12 0.05 0.36 99.36 0.10 0.00 0.00 0.00 19 D H H 70.04 5.03 20.80 26.30 91.52 51.09 -63.59 -40.92 1.06 0.01 98.92 0.34 0.07 0.53 98.91 0.14 0.00 0.00 0.00 20 V H H 69.74 2.57 19.46 21.58 91.64 50.09 -64.34 -41.78 1.53 0.02 98.45 0.31 0.14 0.96 98.27 0.31 0.00 0.01 0.00 21 Q H H 36.29 10.43 13.54 25.89 91.89 50.80 -64.91 -40.97 2.23 0.04 97.73 0.47 0.25 1.36 97.42 0.47 0.00 0.01 0.01 22 N H H 73.89 8.87 13.15 23.05 92.83 51.59 -65.65 -39.33 5.45 0.04 94.51 0.96 0.44 3.73 94.01 0.82 0.01 0.02 0.01 23 E H H 147.61 1.09 14.82 15.29 91.98 51.76 -67.60 -31.32 14.07 0.07 85.86 1.02 1.02 11.68 85.20 0.98 0.03 0.03 0.04 24 K C T 133.93 2.24 12.97 15.79 95.21 48.10 -89.64 0.58 64.47 0.16 35.36 2.19 5.03 54.76 36.20 1.61 0.02 0.05 0.13 25 N C T 131.64 1.54 13.73 16.08 95.12 -116.11 61.93 34.44 98.74 0.11 1.16 12.83 6.57 79.60 0.56 0.35 0.00 0.05 0.04 26 T C C 51.05 9.53 9.71 20.77 119.46 148.90 -97.25 139.88 97.22 1.01 1.77 88.57 5.82 2.74 0.44 1.37 0.00 0.52 0.55 27 K C C 152.83 2.86 16.62 20.69 98.35 -159.98 -87.19 -10.29 96.77 1.44 1.79 44.43 39.50 12.62 0.21 1.98 0.00 0.92 0.35 28 Q C C 89.90 8.22 18.29 27.23 113.88 86.57 -91.17 124.89 89.95 8.29 1.76 44.56 32.84 12.15 0.14 2.05 0.00 7.70 0.56 29 V C E 34.00 16.95 17.17 34.06 119.22 -153.08 -102.29 136.29 52.24 47.56 0.20 45.42 5.95 0.43 0.04 0.16 0.00 46.86 1.13 30 I E E 18.93 20.72 17.68 38.63 116.56 -140.99 -97.90 128.06 12.58 87.38 0.04 12.36 0.34 0.03 0.02 0.01 0.00 85.60 1.63 31 K E E 96.05 9.87 24.65 34.69 117.70 -147.84 -96.33 132.15 12.79 87.18 0.03 12.38 0.41 0.03 0.01 0.01 0.00 86.30 0.85 32 T E E 21.03 21.47 14.88 35.74 126.79 -167.23 -120.06 141.81 45.07 54.76 0.18 41.56 2.28 0.30 0.05 0.12 0.00 54.23 1.47 33 W C C 122.99 8.49 21.67 30.60 101.86 -167.82 -98.13 -11.22 78.58 20.94 0.48 41.52 34.42 3.28 0.08 0.45 0.00 18.84 1.41 34 S C C 32.07 12.72 17.84 31.23 125.67 51.90 -121.30 140.70 88.81 9.75 1.45 54.93 28.19 6.01 0.26 1.41 0.00 7.34 1.86 35 R C S 121.19 12.11 17.19 29.24 96.98 -158.65 -85.05 -13.01 84.39 5.78 9.83 25.90 32.57 26.68 0.89 8.87 0.01 3.83 1.25 36 R C S 145.69 4.51 21.59 26.65 100.33 59.36 -92.21 9.30 82.77 6.83 10.40 23.53 33.94 26.19 0.75 9.58 0.01 4.87 1.14 37 S C C 18.24 19.15 14.70 33.63 123.38 99.12 -89.45 152.59 73.40 16.01 10.59 53.04 14.80 5.44 0.93 9.87 0.00 14.83 1.08 38 T E E 56.44 9.73 25.09 35.14 120.37 -138.45 -108.43 134.89 31.82 67.51 0.66 26.91 3.76 0.60 0.32 0.47 0.00 60.15 7.79 39 I E E 14.03 23.84 16.03 40.12 116.18 -147.57 -99.35 126.12 21.52 78.41 0.07 20.48 0.76 0.04 0.06 0.03 0.00 56.26 22.38 40 I C C 42.66 11.28 21.32 33.48 115.69 -144.87 -87.88 134.96 98.80 1.19 0.01 98.83 0.30 0.01 0.00 0.00 0.00 0.77 0.07 41 P H G 62.92 11.92 16.74 29.35 91.40 -120.78 -58.48 -32.14 10.59 0.12 89.29 0.76 0.79 7.53 1.06 89.77 0.00 0.09 0.01 42 D H G 95.25 4.60 21.40 27.07 89.50 64.87 -67.83 -16.05 9.86 0.08 90.06 0.24 0.48 8.30 0.86 90.06 0.00 0.06 0.00 43 F H G 11.61 22.35 14.70 37.82 94.17 57.11 -93.43 -6.90 9.63 0.11 90.27 0.82 0.81 6.22 0.88 91.19 0.00 0.07 0.01 44 I C T 55.41 15.75 15.86 31.94 112.52 114.46 -61.91 132.05 97.39 1.10 1.51 0.50 1.20 96.54 0.21 0.62 0.00 0.38 0.55 45 G C T 43.47 4.37 22.25 27.53 94.10 22.54 85.94 -4.14 99.54 0.23 0.23 0.23 1.53 97.92 0.01 0.13 0.00 0.16 0.01 46 H C C 42.29 16.26 16.83 33.36 123.19 122.84 -86.40 152.61 95.53 4.43 0.04 87.55 7.53 0.15 0.00 0.03 0.00 4.58 0.15 47 T E E 43.91 11.23 24.44 36.29 118.34 -130.55 -105.30 130.87 1.62 98.38 0.00 1.66 0.04 0.00 0.00 0.00 0.00 98.06 0.23 48 F E E 5.77 24.91 18.62 44.01 126.71 -171.22 -121.51 142.77 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 A E E 15.13 14.04 25.76 40.61 118.28 -142.49 -102.30 131.94 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 50 V E E 6.24 22.57 19.85 42.80 120.88 -163.59 -115.66 130.32 0.52 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 51 H E E 38.44 13.43 19.46 33.90 115.41 -156.25 -104.86 123.43 10.85 89.07 0.08 8.80 1.42 0.28 0.01 0.06 0.00 89.17 0.26 52 D C E 55.47 9.84 17.73 28.94 100.22 176.53 -106.75 22.13 53.81 45.05 1.15 31.36 13.48 9.58 0.11 1.16 0.00 43.42 0.90 53 G C T 40.03 7.94 15.14 23.69 98.41 -88.35 79.57 -4.85 98.31 0.50 1.19 2.46 38.89 56.84 0.04 1.34 0.00 0.32 0.11 54 R C T 171.67 1.70 16.00 17.78 103.91 46.98 -100.84 -28.36 98.37 0.74 0.89 2.65 46.23 49.53 0.03 0.94 0.00 0.49 0.13 55 K E E 132.46 2.13 17.60 19.88 127.23 27.43 -126.77 147.50 36.82 63.03 0.15 24.32 12.45 1.10 0.02 0.15 0.00 61.00 0.96 56 H E E 85.01 15.55 11.69 26.61 119.83 -132.10 -101.49 133.97 13.35 86.63 0.01 12.22 0.65 0.05 0.00 0.01 0.00 86.67 0.40 57 V E E 47.05 9.94 18.73 30.22 120.54 -167.58 -122.23 126.48 3.43 96.56 0.00 3.02 0.14 0.00 0.00 0.00 0.00 96.80 0.04 58 P E E 71.05 9.37 20.41 30.23 114.91 -120.58 -69.88 139.98 1.94 98.06 0.00 1.79 0.03 0.00 0.00 0.00 0.00 98.17 0.01 59 V E E 14.41 21.22 15.86 36.98 127.45 -173.37 -127.84 141.09 0.51 99.49 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.48 0.01 60 F E E 90.67 7.88 25.63 34.01 115.97 -134.97 -95.13 129.41 1.08 98.92 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.87 0.07 61 V E E 6.01 25.16 13.30 39.22 114.39 -145.10 -95.60 125.78 26.69 73.29 0.02 26.49 0.36 0.01 0.01 0.01 0.00 72.63 0.49 62 T C C 47.11 6.16 23.25 29.62 133.74 170.68 -130.48 170.26 92.56 7.32 0.13 89.81 3.07 0.11 0.05 0.06 0.00 6.40 0.50 63 E H G 120.65 8.18 15.27 24.76 90.75 -98.45 -60.32 -31.95 13.38 0.10 86.53 0.62 1.28 10.94 4.40 82.69 0.00 0.07 0.01 64 S H G 85.11 1.85 19.52 21.22 89.81 62.13 -68.86 -20.30 12.25 0.05 87.70 0.36 0.74 10.79 4.34 83.72 0.00 0.04 0.01 65 M H G 27.06 18.32 13.28 31.88 95.71 50.01 -95.78 -6.91 12.19 0.14 87.67 1.05 1.22 9.34 4.52 83.75 0.00 0.10 0.02 66 V C T 47.89 16.78 13.41 30.16 112.34 113.60 -64.65 133.53 85.72 4.07 10.21 3.80 4.72 77.74 5.37 4.15 0.09 2.08 2.05 67 G C T 45.10 5.24 20.45 26.69 95.23 21.96 83.61 -4.33 93.58 0.63 5.79 3.63 5.64 84.49 2.92 2.67 0.00 0.39 0.25 68 H C C 74.14 11.80 16.69 28.82 118.81 119.58 -90.12 145.39 80.91 3.55 15.53 58.25 13.98 8.42 9.34 5.88 0.00 1.49 2.63 69 K C C 98.79 9.27 21.80 30.76 109.60 -110.64 -79.67 128.79 51.33 17.48 31.19 24.54 11.91 15.32 16.66 12.45 0.70 6.63 11.79 70 L H G 34.36 20.71 15.28 34.75 98.84 -107.29 -71.14 -17.90 42.71 4.49 52.79 8.75 9.12 24.37 20.90 31.42 0.66 2.53 2.25 71 G H G 28.34 12.83 18.27 30.51 97.37 45.19 19.59 -16.30 35.32 2.41 62.27 9.19 6.74 19.71 18.59 43.31 0.12 1.32 1.03 72 E H G 110.31 6.11 19.91 26.62 94.00 72.39 -76.09 -19.43 42.58 2.61 54.80 9.33 8.90 24.29 16.13 38.52 0.12 1.62 1.10 73 F C T 86.52 12.37 16.14 28.47 100.38 46.05 -98.83 -1.76 55.87 6.22 37.92 14.88 15.37 26.87 12.86 23.10 0.44 3.09 3.39 74 A C S 31.55 15.14 12.93 28.20 119.96 96.70 -95.07 138.21 93.03 4.65 2.32 43.85 47.64 2.02 1.34 0.87 0.00 2.40 1.87 75 P C C 71.48 7.61 15.74 24.46 111.34 -108.15 -67.82 147.25 89.71 4.79 5.50 73.91 9.94 5.73 2.28 3.18 0.00 2.87 2.10 76 T C C 80.67 8.65 12.86 22.48 108.75 -144.25 -93.23 111.48 83.18 8.52 8.30 61.09 13.93 7.53 3.53 4.92 0.01 4.75 4.24 77 R C C 137.68 6.18 13.39 20.96 114.87 99.13 -101.43 132.13 78.99 11.12 9.89 50.88 20.84 7.29 5.28 4.74 0.02 7.00 3.96 78 T C C 87.72 4.99 13.21 19.79 115.54 -146.83 -100.55 129.00 77.92 12.16 9.92 56.09 14.90 6.49 5.76 4.45 0.01 8.82 3.48 79 F C C 104.69 9.35 9.96 20.24 113.54 -151.72 -95.38 125.98 74.77 11.78 13.45 57.44 10.76 5.71 9.59 4.18 0.01 7.75 4.55 80 K C C 143.08 2.99 12.69 17.05 108.98 -155.20 -91.97 92.82 69.79 6.35 23.86 36.53 14.08 19.83 16.27 7.23 0.04 3.85 2.18 81 G C C 45.74 3.98 13.34 18.43 109.18 15.90 90.48 -43.46 67.67 3.33 29.00 25.58 18.96 24.11 19.21 8.91 0.08 1.75 1.40 82 H C C 98.31 7.06 11.27 19.67 109.29 52.87 -92.14 104.59 59.81 4.28 35.91 35.47 13.79 11.21 26.50 8.96 0.04 2.26 1.76 83 I C H 79.14 7.26 11.50 20.09 110.02 51.12 -85.99 128.64 50.93 3.39 45.69 32.88 10.68 8.46 37.31 7.55 0.04 1.85 1.25 84 K H H 127.09 3.48 13.29 17.78 97.40 -117.76 -67.94 -34.88 43.28 1.89 54.84 26.19 8.95 9.46 44.45 9.19 0.03 1.04 0.70 85 D H H 90.57 3.37 12.82 17.18 98.79 52.96 -76.29 -24.13 40.85 1.30 57.85 21.99 8.49 11.68 46.50 10.08 0.03 0.70 0.52 86 D H H 75.85 6.09 11.20 18.78 98.64 61.04 -75.23 -25.34 43.01 1.20 55.79 24.14 8.51 11.64 45.56 8.99 0.03 0.62 0.51 87 R H H 132.79 4.63 11.58 17.68 97.36 69.10 -71.42 -28.06 44.08 1.52 54.40 25.85 9.04 10.98 45.52 7.18 0.03 0.74 0.66 88 K H H 132.20 2.64 12.02 15.75 97.74 64.63 -76.35 -19.88 48.23 1.73 50.03 26.70 9.91 13.13 41.60 7.02 0.03 0.86 0.75 89 S C H 64.45 4.55 9.63 15.85 101.33 68.89 -81.67 -0.85 58.96 1.90 39.14 30.40 11.89 17.48 30.82 7.59 0.03 0.97 0.82 90 K C C 138.06 3.10 9.07 13.86 105.69 68.43 -86.63 60.36 68.81 3.54 27.64 40.09 13.74 14.97 21.21 6.59 0.02 1.88 1.50 91 R C C 163.69 2.49 8.65 12.86 109.32 88.03 -88.72 110.06 81.71 3.63 14.66 68.50 2.95 10.10 11.74 2.89 0.00 1.95 1.86 92 R C C 165.86 2.68 11.08 15.35 108.04 -132.81 -86.60 97.66 99.83 0.10 0.07 99.60 0.15 0.14 0.04 0.01 0.00 0.05 0.02