# 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 106.79 7.11 12.37 20.71 116.97 -158.59 -99.46 134.86 99.83 0.15 0.02 99.77 0.10 0.03 0.01 0.00 0.00 0.07 0.02 1 T C C 92.63 4.11 10.58 16.56 116.96 -147.94 -95.06 137.88 84.30 4.25 11.45 80.32 1.28 3.70 8.35 2.11 0.00 2.56 1.68 2 R C C 146.98 4.60 9.97 16.38 112.01 -140.43 -91.02 129.26 72.32 6.43 21.26 50.01 12.86 8.99 14.82 7.03 0.02 3.92 2.34 3 S C C 62.44 5.23 11.71 18.49 114.45 -139.95 -90.74 140.77 69.67 6.65 23.68 53.12 8.31 7.58 14.62 9.70 0.01 4.32 2.33 4 L C C 89.90 9.29 9.87 19.86 101.03 -136.45 -80.13 -10.75 59.47 6.06 34.47 33.90 12.14 13.91 17.83 16.35 0.06 3.71 2.09 5 K C C 138.83 3.37 12.51 17.38 101.04 75.48 -79.52 -14.48 64.14 5.73 30.13 30.67 14.54 19.89 15.62 13.73 0.10 3.41 2.05 6 K C C 141.45 2.92 13.48 17.51 101.79 55.60 -85.17 -6.34 70.88 4.57 24.55 29.08 24.87 18.05 13.43 10.00 0.10 2.34 2.12 7 N C C 73.20 9.08 12.22 22.41 110.61 43.82 -110.71 97.94 94.33 2.28 3.38 58.67 32.41 3.41 2.16 1.16 0.00 1.06 1.13 8 P C C 67.33 9.25 14.93 25.33 102.49 -163.41 -69.07 8.41 80.50 3.30 16.20 43.15 16.05 21.59 10.39 5.66 0.01 1.99 1.15 9 F C C 88.16 11.57 17.23 28.83 105.46 71.51 -87.69 42.71 57.46 21.53 21.01 29.88 13.46 14.86 15.28 5.78 0.46 13.61 6.67 10 V C C 35.12 15.80 16.28 32.09 111.75 70.29 -94.07 126.69 49.96 23.99 26.05 36.33 8.20 5.28 22.90 3.94 0.14 14.92 8.28 11 A C C 28.36 13.60 16.68 30.78 106.44 -113.07 -74.33 120.56 51.51 4.39 44.10 43.05 4.85 3.54 42.80 2.07 0.00 2.80 0.89 12 N H H 91.35 5.74 18.75 25.11 94.25 -82.06 -65.57 -37.52 9.59 0.23 90.17 4.14 1.67 4.29 87.93 1.75 0.02 0.13 0.07 13 H H H 96.32 4.66 20.09 25.00 92.99 52.18 -66.14 -40.04 4.32 0.10 95.58 1.45 0.62 2.44 93.86 1.53 0.01 0.06 0.03 14 L H H 21.01 17.06 16.49 33.98 92.43 51.08 -65.10 -42.30 1.89 0.05 98.06 0.69 0.25 1.02 96.91 1.09 0.00 0.03 0.02 15 L H H 40.09 14.00 17.53 31.96 91.81 51.13 -63.96 -41.50 0.98 0.03 98.99 0.32 0.11 0.51 98.61 0.43 0.00 0.01 0.01 16 R H H 128.79 2.42 22.18 23.58 91.68 50.60 -64.09 -41.89 0.84 0.02 99.14 0.23 0.08 0.47 98.95 0.26 0.00 0.01 0.00 17 K H H 85.42 6.81 20.31 27.70 91.87 49.66 -65.12 -41.21 1.08 0.03 98.89 0.27 0.10 0.65 98.66 0.29 0.00 0.02 0.00 18 I H H 18.92 18.52 15.34 34.24 91.98 50.13 -64.69 -42.24 0.97 0.01 99.02 0.22 0.08 0.59 98.79 0.30 0.00 0.01 0.00 19 E H H 90.48 6.65 18.84 26.32 91.77 51.32 -64.09 -40.16 2.03 0.02 97.95 0.40 0.15 1.34 97.64 0.46 0.00 0.01 0.00 20 K H H 121.57 1.99 19.88 20.78 92.12 50.19 -66.01 -39.09 6.53 0.05 93.42 0.78 0.49 5.09 92.65 0.94 0.02 0.02 0.02 21 L H H 51.30 9.91 14.90 26.16 93.54 51.18 -68.34 -36.10 14.60 0.18 85.21 2.40 1.76 10.37 84.04 1.21 0.06 0.07 0.09 22 N H H 61.29 10.98 12.60 24.22 97.58 54.05 -80.27 -11.50 41.87 0.88 57.25 17.69 5.20 19.21 55.10 1.96 0.03 0.38 0.44 23 K C H 137.51 2.91 14.17 18.06 95.57 84.30 -73.44 -25.10 53.13 1.09 45.77 19.01 9.83 25.11 41.22 3.76 0.05 0.48 0.55 24 K C H 146.00 2.02 13.79 16.16 99.65 52.78 -82.88 -12.34 61.27 0.97 37.76 20.33 13.21 28.63 32.28 4.58 0.04 0.39 0.55 25 A C C 54.20 8.43 9.86 19.38 112.00 81.47 -91.42 129.49 73.89 1.10 25.01 35.25 17.34 21.71 18.09 6.47 0.01 0.47 0.66 26 E C C 136.94 3.15 14.15 18.42 102.80 -131.09 -78.46 23.22 82.93 1.43 15.65 47.81 16.57 18.82 8.31 7.05 0.00 0.73 0.72 27 K C C 110.39 8.13 13.82 22.92 115.46 113.77 -95.74 124.58 86.19 2.71 11.10 52.52 19.70 14.31 3.96 6.92 0.00 1.79 0.79 28 E C C 93.18 9.67 17.31 27.44 110.55 -149.51 -91.24 112.75 83.08 11.36 5.56 52.28 24.31 6.95 1.40 3.76 0.00 10.28 1.03 29 I E E 48.42 14.06 18.67 33.02 119.94 -137.56 -107.43 131.19 47.27 51.51 1.22 40.25 5.10 1.11 0.35 0.65 0.00 51.74 0.79 30 I E E 19.56 20.35 18.58 39.17 118.28 -159.41 -107.54 126.09 9.74 90.14 0.12 9.24 0.54 0.08 0.07 0.05 0.00 89.21 0.81 31 V E E 40.89 13.08 24.65 38.03 116.68 -157.96 -104.67 126.16 6.36 93.59 0.05 6.07 0.27 0.04 0.02 0.02 0.00 93.18 0.40 32 T E E 18.30 20.80 18.20 38.65 123.80 -169.07 -117.12 135.52 21.72 78.16 0.11 19.87 1.28 0.18 0.04 0.06 0.00 77.78 0.80 33 W C E 104.52 10.59 22.04 32.89 106.34 -168.72 -101.45 15.99 58.64 41.01 0.35 38.76 18.75 1.72 0.08 0.30 0.00 39.21 1.19 34 S C C 32.59 12.97 18.82 32.17 124.30 76.14 -115.42 144.32 82.33 16.21 1.46 55.88 21.72 4.78 0.25 1.36 0.00 14.32 1.67 35 R C T 123.96 10.73 18.22 29.02 98.17 -148.89 -83.53 -17.59 85.80 8.22 5.99 16.75 33.37 36.47 0.55 5.33 0.00 6.33 1.19 36 A C T 66.26 5.90 21.25 27.31 102.81 53.57 -91.38 16.93 84.98 9.22 5.81 19.04 31.32 35.18 0.41 5.52 0.00 7.53 0.99 37 S C C 18.99 19.10 14.39 33.17 125.98 120.30 -97.76 155.82 74.11 22.17 3.72 59.03 11.80 2.53 0.37 3.41 0.00 21.86 0.99 38 T E E 61.92 8.14 24.93 33.73 120.88 -134.92 -110.89 135.59 18.50 81.34 0.16 16.68 1.50 0.17 0.08 0.11 0.00 76.66 4.81 39 I E E 19.76 23.07 15.74 38.86 117.08 -149.90 -102.16 127.37 15.87 84.10 0.03 15.29 0.42 0.02 0.02 0.01 0.00 73.04 11.20 40 I C C 43.32 11.63 20.01 32.68 112.93 -141.32 -85.42 128.52 98.41 1.58 0.01 98.58 0.24 0.01 0.00 0.00 0.00 1.09 0.07 41 P H G 68.43 10.69 17.14 28.67 91.91 -124.56 -58.64 -32.45 10.07 0.17 89.76 0.95 0.88 6.76 1.05 90.20 0.00 0.15 0.01 42 T H G 82.81 5.56 20.90 27.40 89.56 65.99 -68.02 -16.22 9.25 0.12 90.63 0.32 0.56 7.40 0.84 90.78 0.00 0.10 0.01 43 M H G 11.86 22.02 14.56 37.21 93.89 58.39 -92.52 -8.02 9.37 0.15 90.48 0.97 0.91 5.84 0.86 91.31 0.00 0.10 0.01 44 I C T 57.55 15.38 15.47 31.25 112.39 113.92 -61.66 132.13 97.30 1.25 1.45 0.61 1.39 96.10 0.21 0.60 0.00 0.45 0.66 45 G C T 45.12 4.12 22.03 26.98 94.18 21.92 84.82 -4.48 99.53 0.25 0.22 0.29 1.90 97.46 0.01 0.14 0.00 0.19 0.01 46 H C C 48.94 15.39 16.90 32.54 124.44 119.02 -92.12 154.40 95.53 4.43 0.04 84.15 11.00 0.17 0.00 0.04 0.00 4.47 0.16 47 T E E 45.41 10.88 24.28 35.81 117.03 -126.58 -101.36 130.62 2.24 97.75 0.00 2.27 0.07 0.00 0.00 0.00 0.00 97.35 0.30 48 I E E 4.62 25.07 18.24 43.97 124.71 -169.81 -120.45 137.81 0.12 99.88 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.01 49 A E E 15.89 13.41 25.75 40.06 117.94 -145.61 -100.84 132.28 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 50 I E E 7.67 22.51 19.56 42.44 119.97 -161.49 -114.22 129.03 0.63 99.36 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.40 0.01 51 H E E 40.17 12.95 19.46 33.52 116.99 -161.31 -107.94 124.23 11.25 88.67 0.08 9.11 1.52 0.30 0.01 0.06 0.00 88.69 0.30 52 N C E 60.19 9.76 17.35 28.51 100.33 -175.43 -105.88 19.83 58.18 40.92 0.90 36.07 14.24 7.94 0.09 0.90 0.00 39.89 0.86 53 G C T 41.34 7.20 14.98 22.94 99.75 -89.86 77.67 -10.96 98.17 0.67 1.17 3.11 45.08 49.97 0.04 1.23 0.00 0.42 0.14 54 R C S 178.00 1.32 15.59 16.53 104.05 42.70 -100.00 -28.74 97.92 1.12 0.96 3.27 52.45 42.34 0.04 0.95 0.00 0.75 0.19 55 E E E 123.50 2.28 16.87 19.49 127.75 26.66 -127.53 148.19 41.93 57.83 0.24 28.70 12.91 1.53 0.04 0.24 0.00 55.52 1.06 56 H E E 87.85 14.71 11.40 25.67 120.88 -137.47 -105.42 135.04 15.51 84.46 0.03 14.16 0.87 0.08 0.01 0.02 0.00 84.13 0.74 57 L E E 56.13 9.67 18.28 29.41 120.69 -167.72 -121.07 127.61 5.90 94.10 0.00 5.27 0.26 0.01 0.00 0.00 0.00 94.40 0.07 58 P E E 72.79 8.54 20.22 29.28 114.55 -119.58 -69.57 140.90 3.28 96.72 0.00 3.02 0.07 0.00 0.00 0.00 0.00 96.89 0.02 59 I E E 16.66 21.39 15.17 36.46 127.34 -173.24 -127.46 139.60 0.76 99.24 0.00 0.74 0.01 0.00 0.00 0.00 0.00 99.22 0.03 60 Y E E 103.50 7.50 25.28 33.24 116.85 -136.77 -98.33 130.49 1.66 98.34 0.00 1.60 0.03 0.00 0.00 0.00 0.00 98.25 0.11 61 I E E 9.10 24.49 13.25 38.33 114.25 -145.46 -95.02 124.83 29.90 70.07 0.03 29.41 0.47 0.02 0.01 0.01 0.00 69.48 0.60 62 T C C 44.81 6.39 22.04 28.88 133.25 172.21 -125.49 171.39 93.96 5.85 0.19 91.19 3.03 0.16 0.08 0.08 0.00 4.96 0.50 63 D H G 97.74 7.56 15.24 24.16 91.08 -97.42 -60.43 -29.77 21.42 0.18 78.40 1.09 2.61 17.38 6.64 72.10 0.00 0.12 0.05 64 R H G 168.89 1.82 19.12 20.89 90.45 62.10 -69.36 -21.22 20.68 0.13 79.19 0.64 1.51 18.32 6.48 72.93 0.00 0.09 0.03 65 M H G 26.69 18.61 13.08 31.73 96.08 48.94 -95.00 -7.53 20.71 0.43 78.86 1.74 2.15 16.73 7.31 71.64 0.00 0.32 0.12 66 V C T 49.87 16.08 13.40 29.60 112.30 111.37 -65.17 133.16 82.60 5.46 11.94 3.98 4.70 74.53 6.67 4.74 0.10 3.27 2.00 67 G C T 45.71 4.86 20.25 26.07 95.09 22.41 84.29 -3.78 92.27 1.30 6.44 4.12 5.79 82.52 3.24 2.97 0.01 1.02 0.33 68 H C C 74.05 11.54 15.78 27.86 119.13 124.52 -85.40 152.19 79.28 5.44 15.28 56.29 14.06 8.64 9.00 6.10 0.01 3.02 2.87 69 K C C 106.77 7.73 20.94 28.70 108.88 -112.31 -78.83 131.46 51.59 24.38 24.03 28.11 11.14 11.67 12.55 10.39 0.44 9.50 16.20 70 L H G 44.63 19.03 14.14 32.16 98.88 -119.00 -66.95 -12.92 39.77 6.66 53.57 11.47 9.39 20.06 17.80 34.16 0.53 3.90 2.69 71 G H G 32.96 10.66 17.72 28.39 96.91 46.14 3.69 -21.21 34.17 2.73 63.10 9.32 6.60 19.12 16.04 46.17 0.10 1.62 1.03 72 E H G 113.33 5.52 18.99 25.25 94.80 66.18 -75.91 -18.18 39.03 2.87 58.10 9.47 8.16 22.06 13.89 43.39 0.12 1.87 1.04 73 F C G 84.48 12.61 15.24 27.91 99.93 48.92 -97.74 -0.14 53.85 6.95 39.20 16.79 14.35 24.62 11.44 25.43 0.37 3.75 3.25 74 A C C 35.69 14.12 13.19 27.58 119.06 102.25 -91.88 139.64 90.56 6.11 3.33 48.16 40.94 2.09 1.96 1.28 0.00 3.13 2.44 75 P C C 74.04 7.15 16.01 24.20 111.76 -106.45 -68.15 147.74 86.98 6.52 6.51 72.11 8.99 5.74 2.54 3.92 0.00 4.17 2.53 76 T C C 78.29 8.94 13.03 22.88 112.88 -131.68 -92.76 131.99 80.44 11.15 8.41 61.46 11.01 7.00 3.39 5.16 0.00 6.14 5.84 77 L C C 91.70 8.49 12.57 21.98 108.86 -153.62 -94.94 92.42 78.20 10.98 10.81 46.67 20.93 11.05 4.45 6.18 0.03 6.59 4.10 78 N C C 106.17 3.91 13.99 19.08 108.96 -144.06 -96.89 104.29 80.86 9.71 9.43 51.12 18.12 11.84 3.77 5.61 0.01 6.50 3.03 79 F C C 107.18 9.19 9.71 19.77 108.70 160.03 -89.41 112.58 75.39 11.08 13.53 51.41 14.43 9.04 7.77 5.89 0.03 6.28 5.16 80 R C T 163.83 2.60 12.34 16.24 107.93 67.04 -84.27 100.94 73.37 5.70 20.94 28.58 15.94 29.96 11.23 8.60 0.06 3.34 2.29 81 G C T 47.55 3.54 13.07 17.72 102.93 12.72 75.83 -15.80 73.07 3.20 23.73 23.77 18.98 31.35 12.38 10.26 0.07 1.63 1.58 82 H C C 98.60 7.45 10.98 19.65 102.76 68.05 -81.48 -9.96 63.57 4.39 32.04 34.40 14.80 14.92 18.31 13.07 0.06 2.13 2.30 83 A C C 53.61 7.34 11.04 19.65 108.16 72.11 -83.76 90.10 61.30 3.54 35.16 32.47 13.84 15.61 20.44 14.09 0.05 1.76 1.74 84 K C C 141.23 2.77 12.82 16.60 101.18 51.48 -76.47 -17.16 61.50 2.84 35.67 30.77 14.96 16.77 20.67 13.94 0.06 1.34 1.49 85 N C C 100.73 4.33 11.40 17.05 104.97 53.48 -89.12 40.76 66.21 2.06 31.73 35.16 14.60 17.13 18.47 12.49 0.03 0.94 1.19 86 D C C 87.20 5.91 10.16 17.56 104.82 133.33 -84.03 35.57 70.84 1.75 27.42 36.84 15.53 18.96 15.87 10.96 0.02 0.78 1.03 87 N C C 104.90 3.96 10.52 16.06 103.29 99.04 -87.67 32.83 73.52 2.11 24.36 41.58 14.00 18.15 12.86 11.20 0.01 1.01 1.19 88 K C C 129.40 4.34 9.48 15.54 105.98 122.96 -82.63 60.03 74.46 2.72 22.82 40.27 17.17 17.56 11.12 11.11 0.02 1.33 1.42 89 S C C 78.28 3.13 9.37 14.18 109.68 91.89 -86.80 111.10 79.75 3.20 17.05 47.09 14.88 18.35 6.94 9.55 0.00 1.80 1.39 90 R C C 159.22 3.51 8.15 13.55 108.69 -154.88 -90.04 96.17 87.84 3.76 8.40 76.73 3.83 8.01 3.79 3.57 0.00 2.17 1.90 91 R C C 165.92 2.73 11.22 15.59 111.88 -138.20 -88.53 119.06 99.70 0.25 0.05 99.54 0.17 0.09 0.02 0.01 0.00 0.13 0.04