# 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 113.40 6.08 11.44 19.14 114.46 -163.08 -93.25 131.45 99.82 0.17 0.01 99.79 0.08 0.02 0.00 0.00 0.00 0.08 0.02 1 T C C 87.37 4.78 10.09 16.72 116.93 -151.78 -97.29 139.98 89.66 9.39 0.95 88.54 1.05 0.95 0.46 0.31 0.00 4.14 4.55 2 K C C 149.10 2.82 10.88 15.39 110.37 -130.34 -87.98 129.24 87.46 8.97 3.56 55.91 19.91 11.77 1.21 2.41 0.01 5.22 3.56 3 G C C 42.08 6.28 10.55 18.19 118.73 -52.02 113.51 174.82 88.63 5.86 5.50 40.56 33.16 15.60 1.90 3.29 0.01 3.14 2.33 4 T C C 82.49 5.31 12.00 18.60 111.42 -76.43 -87.94 136.42 84.56 5.31 10.13 61.11 16.46 6.48 4.79 5.36 0.00 2.40 3.40 5 S H G 78.67 4.03 11.80 17.35 99.11 -113.03 -73.39 -18.80 46.47 2.46 51.07 22.55 9.13 15.68 10.68 39.67 0.02 1.40 0.86 6 S H G 76.82 3.62 13.02 17.90 97.55 61.18 -80.99 -11.75 41.65 2.64 55.72 13.05 8.49 20.92 14.08 40.86 0.13 1.59 0.88 7 F H G 97.75 8.68 10.90 20.72 102.36 63.29 -93.91 -0.83 41.19 3.75 55.06 16.20 9.78 17.14 14.95 38.23 0.18 2.12 1.39 8 G C C 33.31 6.86 12.56 20.88 121.47 -136.42 82.18 -171.60 65.85 5.51 28.64 35.84 16.19 14.35 13.26 14.79 0.08 2.71 2.80 9 K C C 146.12 3.02 13.09 17.18 106.56 -46.07 -80.15 71.87 63.12 8.03 28.85 30.48 16.28 17.69 11.15 16.54 0.20 4.28 3.38 10 R C C 132.08 5.27 10.29 17.20 111.83 78.84 -91.49 123.59 66.27 7.63 26.10 36.45 13.53 16.73 8.92 16.71 0.08 4.09 3.48 11 R C T 159.08 3.99 10.82 16.57 101.91 -128.74 -71.04 -13.95 80.53 3.63 15.84 23.28 15.06 42.61 5.20 10.06 0.03 1.90 1.86 12 N C T 123.35 2.10 12.84 15.76 99.19 35.12 -90.03 20.90 89.11 1.72 9.17 19.29 23.72 46.39 2.12 6.71 0.01 0.99 0.77 13 K C C 107.30 6.60 11.48 19.69 121.39 104.17 -101.62 140.92 88.22 8.24 3.54 45.22 34.85 8.42 0.97 2.57 0.00 4.34 3.61 14 T C C 79.17 6.42 14.29 21.98 110.21 -132.41 -95.62 105.09 82.08 16.55 1.37 61.45 16.17 3.93 0.38 1.15 0.00 13.46 3.45 15 H C C 72.32 11.97 13.72 26.34 121.83 100.58 -106.27 145.23 57.43 41.58 0.99 45.09 10.14 1.84 0.27 0.82 0.00 38.11 3.72 16 T E E 50.30 9.82 18.28 29.12 123.66 -148.79 -109.26 141.74 32.53 66.80 0.67 27.18 3.71 0.72 0.25 0.45 0.00 62.35 5.34 17 L E E 67.87 10.49 18.41 29.51 116.23 -126.97 -85.36 137.71 24.73 74.71 0.56 19.10 3.33 0.34 0.42 0.23 0.00 56.06 20.51 18 C C C 17.60 17.41 11.44 29.24 111.65 -115.36 -76.42 128.59 77.52 22.01 0.47 73.32 3.36 0.68 0.16 0.29 0.00 17.64 4.55 19 R C T 149.41 4.33 17.08 22.68 94.81 -150.00 -71.70 -27.47 94.11 0.78 5.11 2.18 12.30 79.61 0.32 4.75 0.00 0.53 0.30 20 R C T 142.45 4.21 16.29 21.47 98.15 44.88 -80.01 -35.78 95.06 0.25 4.68 0.34 6.06 89.56 0.26 3.53 0.00 0.14 0.11 21 C C T 58.79 8.02 13.87 23.16 103.02 23.42 -108.77 -10.30 95.58 0.39 4.03 0.79 6.51 88.73 0.23 3.34 0.00 0.23 0.17 22 G C C 39.32 5.06 15.97 22.33 101.77 -107.20 87.42 1.13 96.15 2.73 1.12 62.48 17.06 16.51 0.27 0.94 0.00 1.49 1.26 23 S C C 49.58 9.28 14.96 25.08 114.37 116.86 -82.96 143.91 94.35 5.39 0.26 64.38 26.92 3.08 0.04 0.33 0.00 4.17 1.09 24 K C C 110.84 7.26 20.03 27.95 120.48 -121.02 -107.55 134.74 58.02 41.85 0.13 43.76 13.65 0.72 0.02 0.15 0.00 38.24 3.46 25 A E E 21.63 16.64 16.35 33.21 129.26 -159.82 -120.74 148.71 30.42 69.56 0.02 28.38 1.24 0.04 0.00 0.01 0.00 69.85 0.47 26 Y E E 52.62 12.26 19.23 32.83 130.80 -167.93 -131.76 147.87 2.52 97.47 0.01 2.32 0.17 0.01 0.00 0.01 0.00 94.85 2.63 27 H E E 48.53 11.21 17.60 30.36 110.35 -117.62 -81.04 125.41 12.34 87.63 0.03 11.99 0.36 0.03 0.01 0.01 0.00 84.95 2.65 28 L C T 69.18 12.19 14.93 28.03 93.60 -148.17 -66.93 -29.09 96.11 0.97 2.92 2.56 7.97 84.60 0.09 3.78 0.00 0.84 0.15 29 Q C T 120.88 3.23 17.52 21.05 96.99 48.31 -84.70 -28.87 95.46 0.98 3.56 2.36 10.42 81.75 0.25 4.26 0.00 0.72 0.24 30 K C T 100.56 5.99 17.35 23.86 121.48 19.87 -124.49 141.78 95.53 0.89 3.58 6.57 15.55 72.12 0.30 4.59 0.00 0.60 0.26 31 S C T 53.52 11.22 15.80 27.73 97.79 -137.25 -67.77 18.19 97.75 1.89 0.36 14.23 13.45 69.90 0.03 0.39 0.00 1.84 0.14 32 T E E 50.63 7.39 21.42 29.91 133.01 98.77 -125.49 154.58 11.01 88.92 0.06 8.09 2.25 0.26 0.04 0.04 0.00 66.46 22.86 33 C E E 14.33 18.66 13.99 33.17 117.41 -118.34 -84.77 140.45 22.05 77.92 0.03 21.52 0.57 0.03 0.02 0.01 0.00 63.09 14.75 34 G C T 27.99 10.73 17.74 29.40 95.16 -137.05 -66.12 -33.32 99.26 0.39 0.35 1.53 4.37 93.30 0.01 0.42 0.00 0.29 0.07 35 K C T 130.78 4.63 19.88 25.14 94.97 43.45 -74.24 -33.34 99.65 0.08 0.27 0.09 1.82 97.80 0.00 0.23 0.00 0.04 0.01 36 C C T 57.60 8.18 17.15 26.51 99.79 25.54 -105.78 -6.55 99.65 0.09 0.26 0.17 2.28 97.26 0.00 0.22 0.00 0.05 0.02 37 G C C 29.60 8.44 16.88 26.64 97.39 -110.62 85.43 7.83 95.99 3.68 0.33 71.75 15.60 8.47 0.13 0.19 0.00 1.49 2.37 38 Y C C 68.29 11.15 13.96 26.65 117.38 143.14 -78.60 140.03 91.79 7.77 0.44 80.90 10.00 0.54 0.26 0.20 0.00 3.86 4.24 39 P E B 64.66 7.28 17.46 25.71 109.68 -105.70 -67.74 145.19 44.11 45.75 10.13 26.97 10.35 5.06 4.29 5.56 0.25 13.48 34.04 40 A C C 44.47 11.99 10.71 23.01 114.22 -117.52 -76.65 144.15 70.73 3.69 25.58 43.53 13.43 12.28 3.57 23.71 0.00 2.29 1.18 41 K C C 160.30 1.82 14.64 16.77 98.31 -119.50 -80.81 -10.58 67.77 3.24 28.98 33.27 18.11 16.48 4.53 24.49 0.00 1.83 1.29 42 R C C 144.84 3.27 11.43 16.44 119.43 71.23 -108.54 139.52 62.84 9.34 27.82 34.85 16.03 13.13 5.61 21.27 0.03 6.05 3.04 43 K C C 141.96 3.68 10.62 16.39 113.69 -116.85 -84.21 132.79 75.67 16.24 8.09 60.15 9.45 4.71 3.50 4.97 0.01 10.78 6.45 44 R C C 125.86 7.12 8.83 17.50 117.24 -145.32 -94.16 137.40 81.18 15.35 3.47 70.53 6.60 2.78 1.96 1.59 0.00 11.20 5.34 45 K C C 154.74 1.89 12.08 14.89 110.95 -144.03 -92.90 123.82 85.50 10.49 4.00 63.78 15.72 5.57 2.30 1.87 0.00 7.37 3.38 46 Y C C 147.26 4.35 9.82 15.87 109.39 -115.36 -90.94 113.92 86.07 5.04 8.89 47.25 24.84 14.16 5.54 3.33 0.01 2.91 1.95 47 N C C 97.93 4.40 10.02 16.08 109.38 -144.62 -96.96 91.16 81.54 2.98 15.48 48.38 16.62 16.49 10.25 5.17 0.01 1.46 1.62 48 W C C 163.01 3.94 10.71 16.17 99.01 159.98 -79.99 -13.80 69.06 1.75 29.19 31.46 15.78 22.06 23.13 5.88 0.03 0.81 0.86 49 S C H 51.78 5.08 10.96 17.83 108.83 77.75 -84.69 108.16 55.18 1.42 43.39 32.62 12.30 10.90 37.85 4.95 0.02 0.60 0.76 50 A H H 68.09 2.68 12.79 16.50 94.07 -126.43 -63.83 -37.34 12.15 0.32 87.54 5.05 2.93 5.18 81.83 4.69 0.04 0.18 0.10 51 K H H 123.98 2.23 13.93 16.70 92.81 53.09 -65.98 -39.11 9.16 0.48 90.36 3.73 1.61 4.68 84.07 5.38 0.04 0.37 0.10 52 A H H 35.25 6.70 11.34 20.32 92.39 52.23 -65.09 -40.27 8.25 0.57 91.18 3.67 1.47 3.94 84.47 5.82 0.04 0.48 0.11 53 K H H 116.40 3.51 14.42 18.94 92.63 52.56 -65.83 -39.14 11.25 0.80 87.94 4.82 2.07 5.51 82.25 4.50 0.06 0.60 0.18 54 R H H 142.63 2.15 14.86 17.26 93.24 51.18 -68.08 -36.20 19.18 1.07 79.75 7.19 3.25 10.16 74.58 3.71 0.11 0.65 0.36 55 R H H 125.18 4.91 13.83 19.99 95.43 55.51 -71.22 -32.42 29.42 1.35 69.23 13.53 5.49 11.94 64.70 3.01 0.07 0.66 0.59 56 N H H 86.90 6.44 13.20 20.73 100.14 54.30 -83.83 -11.34 44.47 1.40 54.13 23.59 7.03 14.29 51.00 2.78 0.03 0.64 0.64 57 T C H 80.90 4.51 14.07 19.55 100.26 62.85 -82.95 -21.24 52.90 1.43 45.67 17.46 13.47 22.62 41.73 3.27 0.12 0.61 0.72 58 T C H 79.07 4.30 14.36 19.51 102.07 49.92 -89.01 -14.63 62.17 1.40 36.43 17.72 19.51 25.01 33.45 2.91 0.08 0.52 0.80 59 G C C 38.24 6.18 13.56 21.01 102.76 -120.45 67.41 -23.63 79.16 1.13 19.71 36.70 24.03 18.62 15.18 4.31 0.01 0.46 0.68 60 T C H 76.58 5.07 13.52 19.76 97.33 51.51 -75.73 -19.72 57.54 1.36 41.10 25.65 14.13 18.83 31.96 8.04 0.04 0.61 0.73 61 G H H 37.97 4.58 14.30 20.15 96.37 58.46 -61.02 -40.86 48.61 1.63 49.75 19.89 12.23 17.69 37.76 10.76 0.10 0.81 0.76 62 R H H 133.74 4.44 14.09 19.50 94.74 53.67 -70.77 -29.55 39.98 2.20 57.82 21.28 8.01 11.72 44.93 11.93 0.07 1.22 0.85 63 M H H 90.33 6.75 12.57 20.63 96.62 57.68 -77.32 -17.90 36.20 2.15 61.65 22.54 5.82 8.71 51.08 9.86 0.03 1.19 0.79 64 R H H 143.66 3.09 14.83 18.91 93.74 85.95 -65.18 -35.65 33.32 1.27 65.41 14.57 5.82 13.52 58.95 5.94 0.04 0.68 0.47 65 H H H 105.07 4.40 14.58 19.93 95.86 52.66 -74.81 -24.62 24.01 0.79 75.20 10.93 3.60 10.20 68.87 5.65 0.03 0.46 0.27 66 L H H 74.37 6.80 13.52 21.63 93.90 63.58 -66.91 -39.04 9.70 0.40 89.90 5.70 1.50 3.08 85.55 3.80 0.01 0.26 0.09 67 K H H 111.03 3.50 15.82 20.06 93.18 55.34 -65.23 -39.31 7.85 0.51 91.64 4.21 1.17 3.15 88.23 2.74 0.02 0.39 0.08 68 I H H 85.21 3.20 15.66 19.49 92.59 50.73 -66.43 -41.25 5.95 0.72 93.33 3.02 1.04 2.58 90.30 2.31 0.02 0.63 0.09 69 V H H 62.93 5.06 14.17 20.72 92.20 50.48 -64.51 -42.38 6.04 0.77 93.19 3.11 0.95 2.47 90.67 2.03 0.02 0.65 0.10 70 Y H H 107.63 4.53 14.08 19.79 92.29 50.24 -65.40 -40.62 6.41 0.82 92.77 3.13 0.91 2.83 89.19 3.05 0.02 0.76 0.11 71 R H H 124.55 2.63 14.05 17.40 92.58 52.07 -65.22 -39.60 6.34 0.48 93.18 2.16 0.86 3.57 87.98 4.86 0.04 0.44 0.08 72 R H H 128.62 3.10 13.09 17.21 92.84 51.84 -67.44 -37.81 9.07 0.34 90.59 2.43 1.06 5.67 85.35 5.09 0.05 0.26 0.09 73 F H H 116.10 4.29 11.41 16.94 97.26 47.74 -81.05 -24.83 17.58 0.53 81.89 5.04 2.27 10.47 76.47 5.15 0.07 0.33 0.21 74 R H H 152.11 2.79 11.59 15.50 95.88 60.56 -74.27 -22.39 33.60 1.31 65.09 8.89 5.05 20.50 59.45 4.65 0.15 0.64 0.67 75 H C T 137.33 1.99 11.62 14.24 99.97 43.57 -90.81 8.05 64.71 0.82 34.47 7.51 7.84 47.41 31.72 4.58 0.06 0.36 0.51 76 G C T 49.11 3.13 11.57 16.07 102.40 -97.73 83.33 9.02 84.18 0.98 14.84 20.61 12.92 50.96 10.12 4.42 0.01 0.48 0.50 77 F C C 122.47 4.98 9.10 15.92 113.27 124.32 -88.56 124.55 80.62 8.30 11.09 52.17 14.24 13.87 6.08 4.99 0.02 4.07 4.55 78 R C C 148.10 3.19 9.78 14.78 117.51 -165.75 -107.43 132.43 84.99 8.65 6.37 66.16 9.36 8.93 3.29 3.03 0.00 4.54 4.69 79 E C C 143.34 2.56 8.94 13.50 111.63 -132.49 -79.93 131.56 87.99 4.90 7.12 40.05 16.48 32.23 1.73 4.83 0.01 2.67 2.00 80 G C T 62.56 1.02 10.60 11.73 104.25 13.07 84.70 -6.36 93.76 1.72 4.51 26.11 30.04 37.74 0.55 3.94 0.00 1.00 0.61 81 T C C 97.65 2.32 8.62 12.54 116.37 99.23 -97.15 139.03 93.88 2.74 3.38 54.40 32.39 7.04 0.51 2.91 0.00 1.20 1.55 82 T C C 103.01 2.01 9.02 12.73 116.05 -131.19 -92.97 134.89 97.42 2.40 0.18 67.76 29.25 0.70 0.06 0.11 0.00 1.01 1.12 83 P C C 90.90 4.27 7.30 13.67 114.52 -109.08 -67.49 147.92 98.00 1.77 0.23 84.27 12.53 1.11 0.07 0.15 0.00 0.76 1.11 84 K C C 155.33 1.59 8.36 11.58 115.48 -117.54 -85.19 135.87 98.54 1.23 0.22 84.01 13.81 0.64 0.07 0.13 0.00 0.49 0.85 85 P C C 107.00 2.16 7.20 11.33 113.32 -104.76 -66.07 146.71 97.02 1.21 1.77 77.71 8.15 10.99 0.40 1.44 0.00 0.61 0.70 86 K C C 164.07 1.40 6.74 9.78 110.77 -114.62 -82.33 132.02 96.76 1.71 1.53 88.42 1.44 7.29 0.40 0.72 0.00 0.69 1.03 87 R C C 182.43 1.55 8.86 11.85 110.58 -132.64 -91.11 127.26 99.86 0.11 0.03 99.68 0.16 0.07 0.01 0.00 0.00 0.05 0.02