# 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 105.56 7.82 12.98 21.92 116.27 -161.47 -95.59 129.44 99.56 0.41 0.03 99.46 0.17 0.06 0.01 0.00 0.00 0.23 0.05 1 S C C 66.05 6.26 10.76 18.59 116.75 -150.54 -92.83 144.49 90.48 7.99 1.53 87.57 1.54 1.79 0.71 0.60 0.00 4.22 3.57 2 K C C 151.34 2.64 12.17 16.27 108.91 -133.52 -88.22 104.79 86.96 8.68 4.35 51.32 20.84 15.33 1.52 2.69 0.01 5.05 3.25 3 G C C 39.92 7.53 11.47 20.04 116.25 -53.17 91.77 174.72 86.84 6.10 7.05 37.65 31.08 19.12 2.63 3.91 0.01 3.29 2.31 4 T C C 75.73 7.18 12.61 20.84 113.03 -75.38 -89.75 134.15 80.63 6.90 12.47 56.43 16.19 7.47 6.85 5.74 0.01 3.23 4.09 5 A C C 71.57 5.38 13.40 20.07 100.60 -125.35 -74.46 -19.65 53.77 3.76 42.47 27.01 11.35 16.11 16.38 25.54 0.06 2.12 1.44 6 S C G 68.40 5.52 13.97 20.65 101.33 61.12 -85.59 -0.81 50.70 3.80 45.50 21.16 10.73 19.54 18.94 25.87 0.15 2.18 1.43 7 F C G 91.50 10.18 12.18 23.06 103.03 71.18 -92.73 5.15 49.28 4.56 46.16 22.12 11.83 16.45 21.36 23.65 0.21 2.46 1.92 8 G C C 31.93 8.04 13.59 22.72 114.07 -124.82 73.15 -160.66 62.68 3.90 33.42 32.67 15.03 16.06 20.96 11.39 0.07 1.92 1.89 9 K C C 139.62 3.42 14.29 18.72 101.28 -32.52 -78.11 -13.23 58.84 4.08 37.08 26.91 14.63 18.70 22.10 13.58 0.14 2.06 1.89 10 K C C 124.53 4.95 12.89 19.22 101.80 61.57 -76.48 -13.09 59.58 3.69 36.72 24.56 14.53 21.83 21.12 14.16 0.14 1.87 1.79 11 N C C 85.73 8.07 12.12 21.18 102.94 61.89 -86.05 15.61 68.28 2.64 29.08 31.00 16.16 21.95 17.16 11.05 0.05 1.24 1.40 12 K C C 116.02 6.29 14.12 21.61 105.28 99.56 -90.76 50.93 73.90 2.75 23.35 38.20 18.94 16.93 15.68 7.50 0.03 1.28 1.45 13 R C C 130.73 7.26 14.89 23.12 101.32 67.14 -77.89 -5.30 69.70 3.95 26.35 40.74 17.46 11.58 20.51 5.87 0.03 1.85 1.96 14 N C C 77.34 9.16 16.30 25.90 102.10 73.16 -88.54 -5.94 61.93 4.08 33.98 39.13 13.45 9.42 27.62 6.50 0.03 2.14 1.71 15 T C H 50.75 13.18 15.54 28.61 99.43 82.93 -79.09 -12.02 50.92 5.49 43.59 30.15 12.47 9.81 33.88 8.46 0.09 3.43 1.71 16 E H H 80.93 8.90 18.83 28.27 97.56 62.07 -71.24 -34.90 42.63 9.24 48.12 25.94 9.59 8.73 37.55 9.03 0.15 6.83 2.18 17 M H H 60.44 11.57 18.62 30.58 96.89 54.98 -73.40 -30.79 37.16 12.17 50.66 21.55 9.83 8.63 39.15 8.82 0.34 8.41 3.26 18 C H H 21.68 17.56 14.53 31.83 99.78 53.10 -84.93 -1.26 39.85 10.21 49.94 24.98 9.06 8.37 38.51 9.06 0.22 6.62 3.19 19 R H H 127.23 7.58 18.57 26.80 94.46 63.91 -69.10 -28.77 41.57 5.25 53.18 13.35 10.22 19.29 37.61 13.60 0.60 3.48 1.84 20 R H H 133.47 5.62 18.71 24.92 95.68 50.76 -75.84 -23.95 46.65 3.75 49.61 9.22 11.16 26.75 34.87 12.94 1.03 2.20 1.83 21 C C T 39.41 13.35 13.95 27.62 101.21 43.55 -96.96 -6.68 57.78 5.57 36.64 14.15 19.41 26.18 24.55 8.93 0.98 2.43 3.37 22 G C C 28.45 6.66 18.59 26.30 124.41 -108.54 92.13 -170.95 85.56 4.35 10.09 36.50 29.22 19.75 1.57 8.82 0.01 2.13 2.00 23 R C T 141.12 8.03 16.98 25.53 95.85 -38.79 -75.50 -17.91 77.81 2.37 19.82 7.19 32.87 37.62 1.02 19.15 0.00 1.36 0.79 24 Q C T 110.94 5.73 20.57 26.75 96.88 63.01 -88.22 -2.98 71.11 6.83 22.07 12.91 25.50 33.55 1.09 20.83 0.01 4.90 1.20 25 S C C 18.42 16.08 15.69 32.27 114.91 89.89 -97.21 132.08 62.07 20.93 17.00 43.44 12.00 7.16 1.51 15.50 0.00 18.59 1.79 26 Y E E 53.24 14.06 16.97 31.90 126.97 93.68 -120.77 144.50 20.70 78.45 0.85 15.81 3.07 0.49 0.60 0.40 0.00 61.87 17.75 27 H E E 48.40 10.80 16.54 29.03 110.18 -122.12 -82.55 122.72 20.32 79.35 0.33 17.96 1.08 0.25 0.22 0.14 0.00 65.39 14.95 28 K C T 111.27 8.72 14.73 24.67 93.45 -147.01 -65.45 -31.07 93.45 0.75 5.79 1.71 4.77 86.88 0.26 5.64 0.00 0.59 0.15 29 Q C T 132.47 2.01 16.27 17.97 95.39 47.74 -77.23 -35.26 92.42 0.82 6.76 1.56 5.37 85.66 0.63 5.98 0.00 0.58 0.22 30 K C T 108.53 5.58 15.88 21.96 105.94 23.33 -108.59 6.61 92.77 0.51 6.72 3.41 7.63 81.10 0.73 6.61 0.00 0.31 0.21 31 N C T 84.72 10.03 15.87 26.60 96.78 -135.84 49.28 28.96 99.04 0.62 0.34 5.40 5.99 87.71 0.04 0.26 0.00 0.53 0.07 32 S E E 39.78 7.69 21.10 29.87 136.47 95.44 -135.23 158.72 8.33 91.53 0.14 5.75 2.01 0.42 0.08 0.08 0.00 59.29 32.36 33 C E E 12.96 19.26 13.61 33.48 113.49 -109.01 -78.38 137.56 30.72 69.23 0.05 29.71 0.61 0.06 0.03 0.03 0.00 55.47 14.09 34 S C T 51.54 9.41 18.87 29.26 94.03 -141.93 -69.04 -28.03 99.32 0.29 0.40 0.70 2.95 95.77 0.01 0.34 0.00 0.18 0.05 35 S C T 66.46 6.30 19.91 26.77 99.30 44.85 -84.08 -37.01 99.57 0.11 0.32 0.14 1.72 97.84 0.00 0.23 0.00 0.05 0.03 36 C C T 55.17 8.28 17.81 27.20 102.99 19.34 -109.88 -10.13 99.62 0.11 0.27 0.31 2.81 96.59 0.01 0.20 0.00 0.05 0.03 37 G C C 28.21 10.35 17.10 28.34 95.84 -117.40 81.95 6.53 94.93 4.87 0.20 73.00 12.48 9.32 0.08 0.12 0.00 2.07 2.93 38 Y C C 75.58 10.54 16.02 27.94 116.33 142.65 -78.19 139.08 89.06 10.81 0.13 74.28 14.96 0.38 0.05 0.09 0.00 5.63 4.62 39 P C C 63.57 9.41 17.13 27.33 111.75 -106.52 -67.28 147.32 58.06 41.14 0.80 42.08 12.68 0.86 0.47 0.35 0.00 10.67 32.88 40 N C C 58.14 10.56 12.80 24.48 118.41 -119.47 -93.11 144.18 95.52 2.79 1.69 82.74 10.95 1.56 0.51 1.30 0.00 1.51 1.43 41 P C T 95.36 4.80 13.92 20.17 95.58 -119.69 -67.28 -22.17 70.00 2.47 27.54 26.87 15.92 27.32 3.44 24.14 0.01 1.38 0.93 42 K C T 140.33 2.61 13.46 17.18 108.48 69.52 -91.11 95.74 63.80 8.14 28.06 23.41 14.26 28.10 4.25 22.40 0.04 5.39 2.15 43 M C C 101.33 7.54 10.64 19.39 110.02 -118.97 -86.30 118.61 66.54 11.39 22.07 43.83 12.43 10.20 4.55 17.77 0.01 7.48 3.72 44 R C C 136.17 6.04 10.71 18.32 112.79 -147.30 -94.08 121.36 84.64 10.77 4.59 64.42 14.68 4.47 2.47 2.34 0.00 6.50 5.13 45 N C C 100.46 3.53 11.39 16.63 117.90 -137.71 -102.80 137.92 92.74 5.05 2.22 70.13 18.78 3.64 1.24 1.00 0.00 2.83 2.37 46 P C C 102.51 3.21 9.74 14.77 105.23 -109.51 -67.23 124.95 84.34 1.82 13.83 44.39 12.37 28.06 9.10 4.25 0.00 0.98 0.85 47 G C C 54.61 2.23 11.81 14.82 102.36 34.16 -61.14 -13.46 83.91 0.79 15.31 52.53 9.12 22.04 12.24 3.26 0.00 0.37 0.43 48 S C C 52.40 5.42 10.10 17.36 109.91 97.23 -82.31 132.87 66.99 1.16 31.85 54.55 6.54 5.37 29.34 3.14 0.00 0.52 0.53 49 I H H 102.67 3.87 12.31 17.53 96.13 -120.66 -66.85 -35.68 27.03 0.85 72.12 20.42 3.74 4.04 68.53 2.56 0.01 0.45 0.25 50 K H H 117.80 3.21 14.23 18.40 93.66 56.98 -66.39 -38.29 16.07 0.93 82.99 11.37 2.35 3.77 78.45 3.23 0.01 0.62 0.20 51 A H H 41.15 6.37 12.52 20.98 93.55 53.77 -66.46 -38.33 11.85 0.91 87.24 8.31 1.80 3.13 82.11 3.77 0.01 0.70 0.16 52 R H H 123.84 4.60 14.95 20.71 92.74 53.76 -66.24 -39.42 9.17 0.77 90.05 5.73 1.59 2.98 85.52 3.43 0.02 0.60 0.13 53 R H H 126.92 4.19 15.52 20.76 92.51 52.45 -66.63 -38.76 9.92 0.85 89.23 5.49 1.74 3.75 84.92 3.27 0.03 0.64 0.16 54 R H H 119.55 6.03 15.06 22.27 92.80 52.18 -68.01 -36.83 12.76 0.91 86.33 6.86 2.22 4.85 82.00 3.20 0.03 0.62 0.22 55 R H H 128.61 5.78 15.73 22.53 94.11 52.60 -71.27 -32.45 18.11 1.06 80.83 8.84 3.12 7.27 76.78 2.96 0.05 0.65 0.31 56 T H H 71.50 6.01 15.87 22.74 97.20 50.12 -77.15 -30.67 28.93 1.21 69.86 12.37 5.59 12.05 66.11 2.71 0.08 0.62 0.48 57 I H H 87.15 6.35 16.04 23.20 98.78 49.49 -83.36 -26.72 42.50 1.55 55.95 15.87 11.45 15.83 53.35 2.02 0.10 0.62 0.77 58 G C C 29.80 8.74 15.38 25.06 109.17 4.53 12.98 -107.72 70.84 1.34 27.82 40.55 13.31 15.64 26.64 2.64 0.01 0.59 0.64 59 T C H 73.25 5.53 16.64 22.82 98.32 -35.93 -78.30 -29.45 50.60 1.47 47.93 28.24 10.95 11.91 44.60 2.97 0.03 0.62 0.67 60 G H H 29.52 7.11 16.63 24.87 95.60 55.85 -60.48 -41.22 35.49 0.97 63.54 17.44 8.81 10.94 58.36 3.56 0.05 0.45 0.40 61 R H H 104.02 8.25 16.18 25.10 93.07 52.49 -66.14 -39.95 17.13 0.64 82.23 9.44 3.11 5.75 77.02 4.05 0.03 0.39 0.21 62 M H H 88.23 5.45 16.78 23.14 92.75 51.60 -65.78 -39.61 8.97 0.48 90.55 4.86 1.42 3.37 85.38 4.47 0.01 0.38 0.10 63 R H H 123.63 3.24 18.17 21.60 92.19 51.89 -65.00 -41.18 6.88 0.40 92.72 2.93 1.03 3.25 87.88 4.48 0.02 0.34 0.07 64 Y H H 88.59 7.34 16.46 25.01 92.24 50.02 -65.08 -40.99 6.69 0.34 92.97 2.42 0.93 3.61 89.13 3.55 0.02 0.28 0.06 65 M H H 73.80 7.70 16.07 24.93 92.05 50.90 -64.57 -40.60 5.37 0.14 94.49 2.12 0.76 2.60 92.43 1.96 0.01 0.08 0.03 66 K H H 110.15 3.04 18.11 21.35 91.81 51.59 -64.54 -40.64 6.43 0.09 93.48 1.75 0.75 3.86 92.21 1.36 0.01 0.05 0.02 67 R H H 118.83 3.90 18.20 22.48 92.02 49.61 -65.66 -40.76 2.77 0.05 97.18 0.87 0.41 1.48 96.49 0.71 0.00 0.03 0.01 68 E H H 68.17 8.64 15.57 25.33 91.95 50.83 -64.04 -42.46 0.96 0.02 99.02 0.32 0.12 0.46 98.68 0.42 0.00 0.01 0.00 69 L H H 79.65 4.44 17.03 22.27 91.96 49.75 -64.06 -41.13 0.87 0.02 99.12 0.21 0.08 0.50 98.78 0.42 0.00 0.01 0.00 70 R H H 121.13 2.34 17.45 19.48 92.22 49.78 -64.77 -41.36 1.00 0.02 98.98 0.19 0.09 0.65 98.57 0.48 0.00 0.01 0.00 71 A H H 38.35 5.79 13.60 21.49 92.22 50.92 -64.47 -40.66 1.59 0.02 98.39 0.28 0.13 1.05 97.90 0.61 0.00 0.01 0.00 72 A H H 53.31 6.30 12.40 20.17 93.01 50.53 -67.37 -37.45 4.38 0.03 95.59 0.64 0.34 3.20 94.69 1.10 0.01 0.01 0.01 73 K H H 151.77 1.41 13.93 15.24 92.89 52.07 -69.61 -29.16 13.91 0.07 86.03 1.07 0.94 11.62 85.11 1.16 0.03 0.03 0.04 74 N C T 110.93 1.83 12.81 14.92 98.16 44.40 -93.46 0.33 59.47 0.31 40.22 3.66 4.97 48.05 41.48 1.50 0.04 0.10 0.21 75 G C T 51.27 3.13 11.79 16.40 99.64 -112.34 77.96 14.52 92.39 0.77 6.84 20.73 12.57 59.50 4.55 1.92 0.00 0.40 0.32 76 H C C 116.55 4.95 10.24 17.00 110.29 126.37 -90.22 111.68 85.45 5.76 8.78 54.90 15.91 14.55 4.38 4.35 0.01 3.03 2.87 77 K C C 130.56 4.39 10.93 17.04 112.71 128.62 -97.69 123.42 87.89 5.04 7.07 61.19 13.65 13.01 3.39 3.66 0.00 3.21 1.90 78 G C C 50.27 3.68 12.09 16.98 110.79 -83.95 -72.66 -2.63 89.06 2.74 8.20 48.92 26.17 14.10 4.88 3.30 0.00 1.44 1.18 79 D C C 92.66 4.34 11.54 17.22 112.84 -22.20 -88.26 138.05 83.11 1.86 15.02 45.13 28.95 8.86 11.96 3.30 0.00 0.86 0.94 80 P C C 88.17 4.47 11.81 17.71 100.26 -126.41 -71.68 -24.53 65.38 2.05 32.57 45.90 10.81 8.04 28.50 4.83 0.01 1.19 0.72 81 I C H 99.56 4.28 12.40 18.04 102.17 67.75 -76.32 -27.96 51.64 4.64 43.72 38.44 7.92 5.84 38.74 4.71 0.01 3.08 1.25 82 L H H 86.66 6.69 10.81 18.91 100.51 54.97 -72.61 -30.16 43.79 5.18 51.03 35.09 5.02 4.49 45.46 4.96 0.01 3.86 1.11 83 R H H 143.24 4.30 12.21 17.84 98.21 63.91 -70.87 -35.39 35.95 3.82 60.23 27.90 4.87 4.43 53.20 5.85 0.01 3.10 0.64 84 T H H 81.24 3.61 12.67 17.41 100.58 53.64 -74.34 -30.09 33.77 4.44 61.79 25.59 4.09 5.17 53.97 6.69 0.02 3.76 0.71 85 L H H 94.74 4.65 10.95 17.19 99.48 53.99 -74.11 -31.57 32.12 4.38 63.50 21.99 5.14 6.35 55.24 6.93 0.03 3.49 0.83 86 W H H 148.99 4.49 10.01 16.09 100.73 54.73 -79.29 -19.06 36.66 4.85 58.49 23.92 6.21 7.92 51.85 5.40 0.04 3.60 1.05 87 A C H 75.34 3.13 9.03 13.79 103.88 58.82 -79.67 7.84 48.56 5.17 46.26 30.29 7.01 11.79 41.96 4.08 0.04 3.47 1.37 88 K C C 154.33 1.71 8.66 11.70 104.89 58.95 -83.91 37.67 66.74 2.79 30.47 49.51 2.49 14.03 28.99 2.31 0.00 1.53 1.13 89 N C C 118.48 2.57 10.03 14.17 107.43 58.22 -87.53 86.90 99.73 0.08 0.19 99.19 0.19 0.41 0.14 0.01 0.00 0.04 0.02