# 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 91.62 4.41 13.64 19.62 112.64 -115.82 -70.72 145.25 99.92 0.04 0.04 99.78 0.11 0.06 0.02 0.00 0.00 0.02 0.01 1 R C C 143.78 5.60 10.12 17.55 114.39 -131.45 -89.68 134.74 85.82 3.34 10.84 82.16 1.26 3.39 7.19 2.58 0.00 1.59 1.83 2 S C C 63.08 4.56 11.21 17.39 117.78 -143.57 -94.30 146.83 70.28 7.52 22.20 54.93 7.97 6.89 11.54 10.89 0.01 4.52 3.26 3 L C C 104.57 7.19 9.93 18.40 97.75 -128.62 -72.75 -19.08 51.46 6.73 41.81 26.79 11.54 14.97 15.13 25.17 0.10 4.39 1.92 4 K C G 145.00 2.97 12.58 17.04 99.37 70.23 -79.32 -11.32 50.71 8.54 40.74 23.03 11.65 18.23 15.30 23.59 0.21 5.61 2.39 5 K C C 132.72 4.02 12.75 18.31 105.19 69.55 -90.62 16.21 59.21 7.15 33.64 23.83 18.03 19.52 13.07 18.35 0.30 3.96 2.93 6 G C C 33.73 7.78 12.64 21.69 124.77 -71.13 114.33 -170.23 83.36 4.22 12.42 37.15 26.44 20.61 2.70 9.10 0.01 2.45 1.53 7 V C T 91.70 6.40 15.67 22.94 98.06 -43.21 -75.18 -15.20 84.91 5.86 9.24 27.70 28.58 29.64 1.51 7.27 0.01 3.91 1.40 8 F C C 85.93 11.69 15.75 27.69 105.97 63.39 -95.42 54.25 63.45 29.06 7.49 32.48 14.47 18.69 2.11 5.41 0.08 20.03 6.73 9 V C C 42.80 15.85 13.62 29.57 119.28 128.88 -105.24 130.56 68.05 30.43 1.52 57.59 8.18 1.04 1.11 0.57 0.00 18.08 13.42 10 D C C 51.08 10.83 15.53 27.52 110.68 -138.91 -86.49 119.63 96.51 2.05 1.45 94.37 1.93 0.64 1.13 0.23 0.00 1.26 0.43 11 D H H 100.28 4.28 16.30 22.18 93.81 -149.80 -64.89 -29.10 20.71 0.12 79.17 4.18 2.40 13.84 76.81 2.62 0.02 0.06 0.07 12 H H H 107.72 3.38 18.66 22.16 92.10 58.65 -65.84 -37.73 12.58 0.07 87.35 2.09 1.07 9.17 85.03 2.55 0.02 0.03 0.03 13 L H H 16.89 17.06 14.71 32.41 92.31 51.35 -65.06 -42.06 3.09 0.04 96.86 1.15 0.39 1.61 94.69 2.13 0.00 0.02 0.02 14 L H H 41.71 13.16 16.70 30.59 91.62 51.35 -63.26 -41.62 1.16 0.01 98.82 0.45 0.12 0.56 98.31 0.55 0.00 0.01 0.00 15 E H H 108.83 1.90 22.45 22.52 91.74 50.57 -63.95 -41.58 0.57 0.00 99.42 0.18 0.05 0.29 99.32 0.16 0.00 0.00 0.00 16 K H H 86.67 6.67 20.37 27.62 91.86 49.29 -65.05 -41.22 0.48 0.00 99.52 0.12 0.04 0.27 99.48 0.10 0.00 0.00 0.00 17 V H H 12.87 18.71 14.72 33.92 91.86 50.40 -64.29 -42.97 0.24 0.00 99.76 0.05 0.01 0.13 99.76 0.05 0.00 0.00 0.00 18 L H H 78.53 4.99 19.76 25.37 91.49 50.59 -63.50 -41.51 0.19 0.00 99.81 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 19 E H H 101.16 1.88 19.87 20.30 91.96 49.92 -64.47 -41.67 0.36 0.00 99.64 0.04 0.02 0.24 99.62 0.07 0.00 0.00 0.00 20 L H H 28.80 9.89 12.80 25.03 91.71 50.44 -64.42 -41.12 0.81 0.00 99.19 0.10 0.05 0.54 99.14 0.16 0.00 0.00 0.00 21 N H H 74.14 8.49 12.22 21.88 92.42 51.94 -64.87 -39.32 2.62 0.01 97.37 0.34 0.16 1.89 97.16 0.44 0.00 0.00 0.00 22 A H H 91.66 0.94 13.74 14.04 91.41 53.00 -67.00 -28.14 11.89 0.03 88.08 0.53 0.57 10.61 87.53 0.72 0.02 0.01 0.01 23 K C T 143.95 1.44 12.33 13.81 94.43 50.22 -87.30 -0.25 69.98 0.09 29.93 1.13 2.73 64.04 30.82 1.18 0.01 0.03 0.07 24 G C T 60.31 1.42 12.25 14.39 95.33 -110.55 78.70 12.53 99.30 0.05 0.65 5.70 5.12 88.65 0.31 0.17 0.00 0.02 0.02 25 E C C 103.27 4.61 11.13 17.70 116.52 134.61 -94.54 136.86 98.76 0.61 0.64 86.64 10.16 1.93 0.20 0.42 0.00 0.28 0.38 26 K C C 131.49 6.04 13.22 21.06 110.90 -143.98 -90.94 118.54 98.36 1.06 0.59 88.22 8.15 2.02 0.13 0.48 0.00 0.68 0.32 27 R C C 116.06 7.10 17.33 25.59 125.15 123.10 -106.27 144.08 92.78 6.90 0.32 78.27 13.26 1.05 0.06 0.28 0.00 6.35 0.72 28 L C C 65.35 12.99 16.83 30.09 116.51 -121.42 -88.04 133.84 60.34 39.51 0.16 54.46 4.67 0.31 0.03 0.12 0.00 39.35 1.05 29 I E E 23.81 19.78 15.56 35.66 117.70 -148.50 -102.97 130.42 16.59 83.37 0.04 16.19 0.56 0.04 0.02 0.02 0.00 81.76 1.41 30 K E E 105.61 8.08 23.30 32.01 116.51 -144.71 -95.82 131.01 12.27 87.70 0.03 12.01 0.39 0.03 0.01 0.01 0.00 86.71 0.83 31 T E E 22.75 20.86 14.48 34.83 128.11 -170.98 -121.49 146.52 36.50 63.40 0.10 34.22 1.43 0.16 0.03 0.06 0.00 62.73 1.37 32 W C C 125.65 7.97 21.50 29.96 103.01 -161.56 -100.27 -5.77 68.06 31.60 0.33 42.97 24.30 1.59 0.07 0.29 0.00 29.20 1.58 33 S C C 29.20 14.11 16.40 30.97 124.24 78.16 -114.96 141.48 84.50 14.48 1.03 64.46 16.64 3.18 0.17 1.05 0.00 12.67 1.82 34 R C T 127.63 9.91 17.68 28.00 103.38 -164.33 -91.44 -12.67 89.32 7.45 3.23 14.67 34.53 40.46 0.24 3.27 0.00 5.76 1.07 35 R C T 151.77 3.71 21.16 25.29 101.81 52.13 -92.11 43.72 89.58 7.54 2.88 16.29 33.97 39.40 0.16 3.13 0.00 6.22 0.83 36 S C C 18.83 19.54 13.09 32.15 124.66 126.47 -100.68 152.62 80.60 17.50 1.90 66.55 11.55 1.84 0.21 1.88 0.00 16.86 1.11 37 T E E 63.95 7.35 25.06 32.97 121.08 -137.43 -110.63 137.25 23.60 76.28 0.13 20.56 2.18 0.17 0.08 0.08 0.00 67.18 9.76 38 I E E 21.12 22.94 14.86 37.83 115.72 -144.23 -96.73 127.04 24.52 75.45 0.03 23.77 0.78 0.03 0.02 0.02 0.00 60.69 14.70 39 V C C 40.90 10.42 19.71 31.34 115.07 -145.25 -87.53 135.12 99.07 0.92 0.01 99.10 0.26 0.01 0.00 0.00 0.00 0.58 0.05 40 P H G 74.04 9.37 16.46 26.94 91.25 -121.29 -58.11 -32.82 8.65 0.10 91.26 0.72 0.68 5.95 1.15 91.41 0.00 0.08 0.01 41 E H G 126.27 3.65 20.46 24.95 89.27 63.86 -67.75 -16.34 7.46 0.06 92.48 0.22 0.40 6.09 0.86 92.38 0.00 0.05 0.00 42 M H G 12.83 21.70 13.70 35.99 94.17 56.81 -94.04 -7.35 7.81 0.08 92.11 0.65 0.66 5.05 0.82 92.76 0.00 0.05 0.01 43 V C T 53.91 14.43 15.32 30.32 112.81 114.83 -62.03 133.02 96.95 1.35 1.69 0.67 1.48 95.66 0.23 0.73 0.00 0.46 0.76 44 G C T 45.93 3.63 21.80 26.09 94.17 23.14 85.55 -4.15 99.51 0.27 0.22 0.32 1.90 97.43 0.01 0.14 0.00 0.19 0.02 45 H C C 43.86 15.87 16.07 32.34 122.31 124.82 -84.29 151.53 95.61 4.36 0.03 89.13 6.11 0.12 0.00 0.03 0.00 4.46 0.14 46 T E E 46.65 10.48 24.24 35.37 118.93 -133.50 -106.17 132.09 1.75 98.25 0.00 1.76 0.05 0.00 0.00 0.00 0.00 97.94 0.24 47 I E E 4.64 25.03 17.97 43.67 124.92 -169.59 -120.50 137.70 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 48 A E E 18.30 12.42 25.63 39.10 117.51 -142.15 -100.18 131.91 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 49 V E E 6.88 22.44 18.81 41.66 121.17 -165.15 -116.10 131.02 0.43 99.57 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.01 50 Y E E 52.81 12.07 18.84 32.24 115.33 -154.74 -104.75 123.21 7.45 92.49 0.05 5.92 0.99 0.18 0.01 0.04 0.00 92.67 0.20 51 N E E 62.78 9.16 16.40 27.10 102.12 177.24 -109.68 30.02 40.49 58.62 0.89 23.16 11.12 7.14 0.09 0.92 0.00 56.88 0.69 52 G C T 45.41 5.61 14.77 21.25 98.83 -85.90 76.42 -13.32 98.52 0.49 0.99 2.32 30.66 65.39 0.03 1.16 0.00 0.33 0.11 53 K C T 159.99 1.29 14.84 15.87 103.51 35.13 -100.02 -21.21 98.54 0.65 0.80 2.53 36.52 59.47 0.03 0.89 0.00 0.45 0.12 54 Q E E 119.62 1.98 16.62 18.78 126.77 34.13 -125.71 147.67 29.13 70.75 0.12 19.29 9.54 0.89 0.02 0.11 0.00 69.48 0.68 55 H E E 90.51 14.10 11.29 25.13 119.01 -128.24 -97.51 133.50 8.28 91.71 0.01 7.49 0.40 0.03 0.00 0.00 0.00 91.80 0.27 56 V E E 48.43 9.53 17.86 29.10 120.18 -167.71 -122.25 125.73 2.57 97.43 0.00 2.31 0.08 0.00 0.00 0.00 0.00 97.59 0.03 57 P E E 73.85 8.27 20.01 28.95 114.79 -120.32 -69.54 139.95 1.73 98.27 0.00 1.61 0.03 0.00 0.00 0.00 0.00 98.36 0.01 58 V E E 15.28 21.07 15.00 35.99 126.99 -173.62 -127.21 139.69 0.69 99.31 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.02 59 Y E E 107.68 7.05 25.32 32.84 116.32 -135.42 -97.99 130.41 1.37 98.63 0.00 1.30 0.03 0.00 0.00 0.00 0.00 98.58 0.08 60 I E E 7.45 25.01 12.99 38.70 114.92 -147.79 -98.04 126.09 25.69 74.29 0.02 25.72 0.29 0.01 0.00 0.01 0.00 73.46 0.51 61 T C C 47.57 5.68 23.31 29.12 133.74 173.12 -129.82 169.19 93.43 6.47 0.10 92.19 1.64 0.09 0.03 0.04 0.00 5.64 0.36 62 E H G 114.59 9.54 14.76 25.27 90.80 -100.22 -59.60 -32.10 11.54 0.10 88.36 0.73 1.13 9.19 4.22 84.65 0.00 0.07 0.01 63 N H G 126.64 1.24 19.64 19.91 89.75 61.13 -70.00 -18.80 10.71 0.07 89.23 0.47 0.75 9.09 4.44 85.18 0.00 0.05 0.01 64 M H G 30.97 17.59 13.54 31.42 96.09 51.58 -96.91 -5.82 11.06 0.19 88.75 1.46 1.37 7.72 4.64 84.64 0.00 0.13 0.03 65 V C T 40.93 17.81 13.39 31.10 113.00 113.51 -65.38 134.58 80.78 6.02 13.20 6.70 7.26 66.35 7.60 5.57 0.14 3.19 3.18 66 G C T 40.51 6.75 20.34 28.00 95.76 22.13 83.56 -4.20 89.98 1.68 8.33 7.46 9.60 72.90 3.81 4.41 0.02 1.09 0.72 67 H C C 76.72 10.74 17.37 28.65 114.03 122.51 -89.13 157.94 72.36 5.01 22.63 41.59 16.56 14.56 11.97 9.95 0.05 2.26 3.06 68 K C T 102.05 9.08 21.52 30.29 104.37 -96.76 -71.60 91.43 52.72 9.67 37.61 15.30 13.67 24.76 17.34 17.66 1.26 4.59 5.43 69 L C T 34.33 20.63 15.43 34.87 97.48 -105.06 -69.48 -18.62 53.37 4.31 42.32 8.61 11.22 32.46 16.44 25.68 0.69 2.49 2.42 70 G C G 30.03 11.83 18.47 30.00 97.21 46.66 -25.66 -18.89 52.60 3.77 43.63 13.62 11.40 28.66 12.29 30.16 0.14 2.09 1.65 71 E C T 103.73 6.83 19.45 26.86 94.61 72.53 -74.99 -20.91 58.41 5.04 36.55 17.87 14.06 27.78 9.45 25.70 0.10 3.07 1.97 72 F C C 81.89 12.73 15.55 28.31 100.12 46.38 -97.85 -0.58 62.13 11.33 26.53 25.48 17.08 21.76 7.93 16.48 0.26 5.74 5.29 73 A C C 35.70 13.90 12.52 26.82 119.03 102.66 -94.21 139.18 91.11 6.35 2.54 55.70 33.34 2.49 1.22 1.26 0.00 3.81 2.19 74 P C C 80.92 5.88 14.81 22.00 112.88 -106.90 -68.94 147.39 89.19 5.89 4.93 70.31 11.27 7.47 1.42 3.59 0.00 4.20 1.75 75 T C C 88.66 6.69 11.01 19.15 112.97 -133.25 -92.59 130.53 84.07 10.71 5.23 63.82 11.51 8.26 1.37 4.10 0.00 7.05 3.89 76 R C C 144.12 4.90 10.58 17.24 118.99 -155.65 -108.96 136.42 81.21 14.94 3.85 54.77 20.21 6.22 1.12 2.88 0.00 10.67 4.12 77 T C C 102.77 2.71 9.85 14.49 115.84 -142.45 -100.26 132.19 80.30 17.15 2.56 60.00 15.44 4.55 0.78 1.88 0.00 13.77 3.57 78 Y C C 149.19 4.95 7.55 14.34 115.10 -151.89 -96.38 130.61 84.50 14.61 0.88 81.63 1.68 1.51 0.35 0.41 0.00 10.60 3.84 79 R C C 173.46 2.20 11.35 15.18 113.37 -152.09 -96.21 125.16 99.75 0.25 0.01 99.72 0.09 0.03 0.00 0.00 0.00 0.15 0.02