# 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 P C C 91.26 4.61 14.29 20.41 112.73 -114.42 -69.76 144.73 99.94 0.04 0.02 99.82 0.10 0.05 0.01 0.00 0.00 0.02 0.01 1 R C C 141.54 6.24 10.96 18.94 113.78 -128.72 -89.54 132.64 87.53 4.77 7.71 84.66 1.22 2.71 4.18 2.46 0.00 2.48 2.30 2 S C C 62.37 5.23 12.48 19.33 119.18 -149.45 -100.94 144.14 73.64 10.38 15.98 60.66 7.08 5.39 6.37 9.76 0.00 6.47 4.26 3 L C C 89.73 10.39 10.76 21.69 97.56 -140.01 -76.84 -13.95 56.98 7.55 35.47 30.38 13.48 15.58 7.81 25.79 0.03 4.95 1.99 4 K C C 137.78 3.91 14.20 19.64 101.96 77.03 -82.09 -0.97 57.45 9.06 33.49 26.44 14.34 19.66 7.33 23.87 0.09 5.89 2.38 5 K C C 129.60 4.85 13.97 20.40 107.13 85.95 -90.94 74.29 65.79 7.95 26.26 31.06 21.39 15.42 6.39 18.02 0.14 4.11 3.48 6 G C C 29.35 9.14 12.83 23.04 130.09 20.39 126.59 -176.08 90.97 3.99 5.04 44.89 30.35 15.60 0.67 4.71 0.00 2.08 1.69 7 P C T 88.95 5.54 16.77 23.18 96.98 -36.14 -71.49 -14.13 93.43 2.73 3.84 20.88 30.82 41.77 0.33 3.77 0.00 1.75 0.68 8 F C C 78.94 12.98 15.90 28.88 101.49 59.28 -93.54 14.97 71.52 23.62 4.86 31.74 16.19 26.28 0.96 3.90 0.04 15.64 5.23 9 V C C 37.78 17.59 13.31 30.53 118.19 111.97 -99.90 130.09 72.45 26.89 0.66 61.03 9.92 0.57 0.44 0.28 0.00 13.75 14.00 10 D C C 51.30 10.73 15.83 27.60 113.63 -140.42 -91.80 131.06 98.07 1.49 0.44 97.20 1.12 0.18 0.32 0.06 0.00 0.80 0.33 11 D H H 104.62 3.32 16.74 21.47 92.92 -138.93 -63.48 -32.56 6.33 0.02 93.66 1.22 0.69 4.13 92.99 0.95 0.00 0.01 0.01 12 H H H 106.02 3.66 18.79 22.70 91.90 56.32 -65.11 -39.30 3.07 0.01 96.92 0.41 0.22 2.24 96.12 1.00 0.00 0.00 0.00 13 L H H 13.11 18.73 14.51 33.65 92.27 50.28 -65.06 -42.13 0.77 0.01 99.22 0.19 0.06 0.45 98.42 0.87 0.00 0.00 0.00 14 L H H 43.42 13.24 17.12 30.97 91.53 51.81 -62.94 -41.74 0.34 0.00 99.66 0.08 0.02 0.18 99.51 0.21 0.00 0.00 0.00 15 K H H 122.40 1.73 23.10 22.90 91.49 50.78 -63.95 -41.75 0.46 0.00 99.54 0.08 0.03 0.28 99.51 0.10 0.00 0.00 0.00 16 K H H 84.01 7.82 20.77 29.11 91.91 49.09 -65.04 -41.39 0.64 0.00 99.36 0.10 0.04 0.41 99.35 0.09 0.00 0.00 0.00 17 V H H 11.22 19.26 15.35 35.06 91.88 50.07 -64.26 -42.73 0.47 0.00 99.52 0.09 0.03 0.26 99.55 0.07 0.00 0.00 0.00 18 D H H 70.76 4.66 20.98 25.99 91.57 50.83 -63.62 -40.99 0.86 0.01 99.13 0.26 0.05 0.43 99.15 0.10 0.00 0.00 0.00 19 V H H 68.37 2.66 19.37 21.68 91.80 50.01 -64.19 -42.03 1.24 0.02 98.75 0.23 0.11 0.78 98.64 0.23 0.00 0.01 0.00 20 Q H H 34.88 10.45 13.24 25.66 91.98 50.90 -64.64 -41.10 1.88 0.03 98.09 0.38 0.20 1.13 97.91 0.35 0.00 0.01 0.01 21 N H H 78.56 7.88 13.36 22.39 92.69 51.25 -65.53 -39.69 4.51 0.03 95.47 0.73 0.34 3.11 95.13 0.66 0.01 0.01 0.01 22 E H H 148.10 1.02 14.70 15.00 92.05 51.28 -67.27 -32.17 11.80 0.05 88.15 0.77 0.79 9.89 87.71 0.79 0.02 0.02 0.02 23 K C T 133.09 2.22 12.75 15.60 95.42 46.68 -90.39 1.19 62.84 0.13 37.03 1.92 4.45 53.97 38.11 1.40 0.02 0.04 0.10 24 N C T 133.98 1.31 13.73 15.60 94.52 -117.73 60.69 35.70 99.15 0.06 0.79 12.08 5.11 82.15 0.36 0.23 0.00 0.03 0.03 25 T C C 51.48 9.15 9.57 20.32 119.85 148.94 -100.02 144.55 97.95 0.77 1.28 90.30 5.50 2.06 0.31 1.01 0.00 0.37 0.45 26 K C C 157.43 2.34 16.30 19.65 97.78 -153.88 -86.78 -11.35 97.86 0.96 1.18 44.07 43.74 9.88 0.13 1.33 0.00 0.60 0.25 27 Q C C 92.22 7.45 18.11 26.43 115.82 87.75 -91.14 131.95 91.34 7.32 1.34 47.76 34.33 8.89 0.11 1.63 0.00 6.72 0.56 28 V C C 36.81 16.54 16.75 33.25 118.37 -152.49 -99.47 137.43 56.26 43.54 0.19 49.78 5.54 0.40 0.04 0.15 0.00 42.88 1.21 29 I E E 21.11 20.23 17.21 37.78 115.93 -138.45 -96.80 128.16 15.38 84.58 0.04 15.10 0.42 0.03 0.03 0.02 0.00 82.32 2.08 30 K E E 99.93 9.18 24.19 33.73 117.00 -147.89 -96.88 132.32 16.12 83.84 0.03 15.61 0.51 0.04 0.01 0.01 0.00 82.82 1.00 31 T E E 22.96 21.11 14.28 34.82 126.07 -166.49 -118.07 143.35 47.42 52.38 0.20 43.97 2.22 0.30 0.05 0.13 0.00 51.74 1.58 32 W C C 130.07 7.69 21.34 29.58 101.90 -169.02 -99.23 -11.79 77.89 21.55 0.57 43.76 31.60 3.23 0.11 0.53 0.00 19.22 1.57 33 S C C 32.71 12.56 16.88 30.22 124.38 59.37 -115.06 139.73 87.62 10.40 1.98 54.10 27.31 6.46 0.35 1.89 0.00 7.94 1.94 34 R C S 128.00 10.84 16.90 28.08 97.60 -158.76 -86.12 -15.20 82.86 5.74 11.40 23.35 33.26 27.16 1.01 10.14 0.01 3.88 1.19 35 R C S 149.94 3.90 21.31 25.74 100.62 60.30 -92.35 11.46 80.74 7.23 12.04 22.38 33.34 26.12 0.89 10.86 0.01 5.23 1.16 36 S C C 19.38 18.94 14.27 32.97 125.10 101.83 -97.40 152.12 71.58 17.18 11.24 52.28 14.02 5.12 0.99 10.41 0.00 16.13 1.04 37 T E E 56.80 9.44 24.73 34.60 121.15 -139.11 -109.00 135.45 28.46 70.97 0.57 24.22 3.31 0.51 0.29 0.39 0.00 63.96 7.32 38 I E E 16.96 23.29 16.03 39.44 116.17 -147.09 -99.26 126.65 19.01 80.93 0.06 18.11 0.68 0.03 0.05 0.03 0.00 60.56 20.55 39 I C C 43.26 11.25 20.65 32.85 114.71 -144.96 -88.28 134.18 98.94 1.05 0.01 99.01 0.24 0.01 0.00 0.00 0.00 0.69 0.05 40 P H G 66.50 11.16 16.54 28.53 91.53 -121.10 -58.15 -32.15 9.49 0.10 90.41 0.71 0.69 6.62 0.90 91.01 0.00 0.08 0.00 41 D H G 98.64 3.96 21.15 26.08 89.58 64.42 -68.00 -15.83 8.45 0.06 91.49 0.21 0.41 7.03 0.70 91.59 0.00 0.05 0.00 42 F H G 13.25 21.89 14.25 36.82 94.13 57.78 -94.13 -6.13 8.46 0.08 91.46 0.69 0.68 5.40 0.70 92.47 0.00 0.05 0.01 43 I C T 57.26 15.46 15.44 31.25 112.53 114.63 -62.26 132.40 97.51 0.96 1.54 0.53 1.26 96.51 0.22 0.64 0.00 0.32 0.51 44 G C T 44.99 3.99 22.01 26.79 94.13 21.88 85.55 -3.81 99.56 0.21 0.23 0.25 1.64 97.81 0.01 0.14 0.00 0.14 0.01 45 H C C 44.99 15.75 16.71 32.77 123.49 123.04 -86.75 152.68 95.93 4.03 0.04 87.01 8.51 0.17 0.00 0.04 0.00 4.12 0.15 46 T E E 45.34 11.03 24.30 35.94 118.46 -130.64 -104.46 131.21 1.74 98.26 0.00 1.77 0.05 0.00 0.00 0.00 0.00 97.91 0.27 47 F E E 5.61 24.97 18.53 43.98 127.84 -172.15 -123.37 144.08 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 48 A E E 15.06 14.09 25.87 40.74 118.58 -140.90 -101.61 132.74 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 V E E 5.91 22.85 19.79 43.00 121.55 -164.00 -116.28 130.59 0.54 99.45 0.00 0.47 0.03 0.00 0.00 0.00 0.00 99.49 0.01 50 H E E 39.21 13.33 19.52 33.87 115.64 -156.05 -104.87 123.60 9.78 90.15 0.07 7.72 1.44 0.27 0.01 0.05 0.00 90.28 0.23 51 D C E 56.42 9.52 17.67 28.59 100.75 178.06 -106.83 21.27 49.92 49.30 0.79 32.12 11.77 6.16 0.08 0.80 0.00 48.30 0.78 52 G C T 40.34 7.69 15.18 23.53 98.66 -91.76 77.49 -6.12 98.55 0.51 0.94 2.45 39.12 56.94 0.03 1.03 0.00 0.33 0.11 53 R C T 173.87 1.65 15.84 17.48 103.93 43.33 -100.45 -27.26 98.49 0.77 0.74 2.64 44.96 50.95 0.03 0.77 0.00 0.53 0.12 54 K E E 130.95 2.22 17.56 20.02 127.51 30.97 -126.69 147.63 35.72 64.14 0.15 24.18 11.34 1.04 0.02 0.14 0.00 62.41 0.86 55 H E E 85.10 15.47 11.83 26.69 120.45 -134.19 -102.01 134.36 12.38 87.61 0.01 11.26 0.62 0.05 0.00 0.01 0.00 87.65 0.41 56 V E E 45.21 10.29 18.80 30.63 120.67 -167.52 -122.05 126.28 3.84 96.16 0.00 3.35 0.16 0.00 0.00 0.00 0.00 96.44 0.04 57 P E E 70.82 9.18 20.94 30.53 114.97 -120.48 -69.83 140.00 2.31 97.69 0.00 2.11 0.04 0.00 0.00 0.00 0.00 97.83 0.02 58 V E E 12.10 22.14 15.75 37.84 128.54 -173.92 -129.52 143.33 0.63 99.37 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.36 0.02 59 F E E 91.42 7.50 25.99 34.08 116.19 -134.69 -95.21 130.35 1.29 98.71 0.00 1.24 0.03 0.00 0.00 0.00 0.00 98.65 0.08 60 V E E 6.23 25.28 13.12 39.18 113.57 -141.13 -91.64 125.87 25.61 74.36 0.02 25.44 0.35 0.01 0.01 0.01 0.00 73.63 0.55 61 T C C 47.29 6.25 22.69 29.22 133.15 170.84 -127.21 169.80 93.29 6.61 0.10 91.62 2.06 0.09 0.04 0.05 0.00 5.77 0.39 62 E H G 127.53 6.63 15.57 23.83 90.80 -98.42 -59.77 -32.39 13.10 0.09 86.82 0.59 1.28 10.47 2.81 84.77 0.00 0.06 0.01 63 A H G 80.51 2.36 19.21 21.79 90.31 61.84 -68.13 -20.65 11.97 0.04 87.98 0.31 0.66 10.44 2.62 85.93 0.00 0.03 0.01 64 M H G 22.38 19.27 12.81 32.34 95.79 49.54 -95.26 -8.06 12.91 0.10 86.99 0.85 1.05 10.15 2.71 85.16 0.00 0.07 0.02 65 V C T 52.62 15.76 13.56 29.50 112.14 113.03 -63.37 133.40 91.24 2.46 6.30 2.28 3.19 86.73 2.47 2.75 0.02 1.15 1.41 66 G C T 49.70 3.67 20.45 24.87 94.12 20.98 84.10 -3.71 97.68 0.34 1.98 1.80 3.64 92.53 0.45 1.27 0.00 0.21 0.10 67 H C C 70.13 11.93 15.50 28.11 122.03 121.85 -90.15 152.80 93.27 3.02 3.70 76.02 14.02 2.72 2.09 1.58 0.00 1.18 2.40 68 K C C 102.80 7.20 21.69 29.21 115.46 -109.01 -78.91 140.91 54.87 29.54 15.59 34.12 10.72 7.31 7.88 6.59 0.13 6.76 26.49 69 L H G 32.42 21.44 14.03 34.56 95.98 -109.48 -63.20 -25.27 32.61 2.71 64.68 7.58 7.22 19.05 11.47 51.80 0.18 1.62 1.07 70 G H G 32.08 11.39 18.50 29.77 94.62 55.47 -51.56 -17.31 24.72 1.26 74.02 6.27 4.27 14.50 11.57 62.16 0.03 0.75 0.45 71 E H G 111.19 5.53 20.16 26.36 93.14 74.90 -75.56 -20.82 27.84 1.82 70.33 7.42 5.91 15.09 11.02 58.72 0.08 1.12 0.65 72 F C G 73.42 14.27 15.26 29.43 101.40 46.13 -101.00 -1.69 51.08 7.02 41.89 18.79 14.50 20.34 10.47 28.56 0.27 3.46 3.62 73 A C C 32.41 15.44 13.26 28.75 119.08 98.32 -95.03 137.50 93.07 6.02 0.91 50.35 42.25 1.09 0.46 0.41 0.00 3.35 2.08 74 P C C 75.29 6.90 15.63 23.71 113.14 -108.03 -68.44 147.60 89.84 8.45 1.71 81.27 6.28 2.17 0.65 0.98 0.00 4.87 3.78 75 T C C 85.09 8.01 11.43 20.73 113.21 -142.26 -94.55 130.89 86.77 9.71 3.52 71.94 9.96 3.94 1.24 2.29 0.00 4.98 5.64 76 R C C 149.52 4.50 11.51 17.79 116.66 -157.83 -102.31 132.79 86.18 8.19 5.63 51.91 26.49 8.20 1.55 3.93 0.01 4.73 3.18 77 T C C 102.04 2.66 10.77 15.11 114.84 -139.64 -97.30 130.36 85.41 8.47 6.12 57.19 19.11 9.24 1.65 4.53 0.01 5.52 2.75 78 F C C 130.15 5.84 7.40 14.91 114.71 -152.04 -95.45 129.98 85.42 8.98 5.61 64.14 13.12 7.78 1.73 3.99 0.00 5.61 3.62 79 K C C 162.85 1.35 8.84 11.51 112.44 -156.57 -98.23 122.90 90.17 5.82 4.00 53.82 17.69 18.88 1.01 2.96 0.00 3.67 1.98 80 G C C 59.77 1.37 9.81 12.14 112.72 8.70 99.79 -20.59 94.83 3.25 1.92 71.57 6.67 16.65 0.39 1.40 0.00 2.29 1.02 81 H C C 142.06 3.29 9.96 15.06 111.01 -63.56 -94.30 113.36 99.72 0.26 0.02 99.56 0.19 0.07 0.01 0.00 0.00 0.14 0.04