# 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 W C C 130.67 9.75 12.01 22.47 115.93 -164.03 -94.77 134.39 99.85 0.14 0.01 99.80 0.08 0.03 0.01 0.00 0.00 0.07 0.01 1 K C C 121.78 5.08 12.35 19.11 118.53 -159.01 -103.55 138.24 89.94 9.28 0.77 89.00 0.68 0.89 0.30 0.26 0.00 7.24 1.63 2 K C C 139.32 3.73 12.57 18.21 115.31 -139.92 -97.41 130.29 80.75 17.96 1.29 70.44 7.70 1.91 0.53 0.78 0.00 14.43 4.20 3 F C C 75.99 12.48 9.66 22.61 119.65 -158.15 -104.85 136.92 76.80 21.86 1.33 69.78 4.98 1.31 0.63 0.71 0.00 17.35 5.23 4 R C C 145.39 4.06 15.28 20.94 119.57 -159.52 -111.00 132.88 74.96 23.39 1.64 63.17 8.86 1.97 0.72 0.99 0.00 19.99 4.29 5 Y C C 85.10 13.31 9.91 23.38 118.87 -170.96 -121.47 123.92 54.11 40.83 5.06 28.18 15.63 9.81 1.75 3.21 0.24 23.35 17.82 6 R C T 159.36 4.67 13.51 19.59 95.43 -17.05 52.92 37.74 94.13 2.70 3.17 4.42 11.19 78.83 0.53 2.40 0.00 1.95 0.67 7 G C T 58.78 2.10 13.96 16.55 97.43 -52.35 82.78 0.62 96.27 1.28 2.45 4.74 14.04 77.61 0.30 2.06 0.00 1.00 0.25 8 K C C 78.65 9.33 10.61 21.40 123.34 109.55 -104.00 146.31 61.89 37.05 1.05 40.60 20.58 1.37 0.68 0.47 0.01 16.73 19.57 9 S C C 50.29 3.43 17.20 21.06 120.72 -119.93 -79.83 159.64 86.00 13.34 0.66 84.36 1.62 0.31 0.49 0.14 0.00 8.73 4.36 10 L H H 69.46 13.00 11.48 24.84 92.29 -110.58 -59.00 -38.37 2.35 0.01 97.64 0.50 0.33 1.39 96.15 1.61 0.00 0.01 0.00 11 E H H 127.43 1.69 17.08 18.28 91.87 54.37 -63.99 -40.07 1.21 0.01 98.78 0.16 0.10 0.86 96.64 2.23 0.00 0.01 0.00 12 D H H 75.56 3.25 16.69 20.46 91.91 49.28 -65.85 -38.83 0.76 0.01 99.23 0.09 0.06 0.54 96.66 2.65 0.00 0.00 0.00 13 L H H 18.52 18.66 10.67 29.19 91.90 51.68 -65.51 -38.66 1.52 0.01 98.48 0.13 0.09 1.16 95.63 2.98 0.00 0.00 0.00 14 L H H 86.63 8.49 14.91 24.49 91.07 56.57 -67.06 -24.46 33.87 0.02 66.11 0.38 0.55 34.23 62.83 1.97 0.01 0.01 0.02 15 N C T 130.05 0.81 17.64 16.45 93.78 55.47 -86.95 -5.96 71.74 0.02 28.23 0.76 1.39 69.49 26.87 1.46 0.00 0.01 0.02 16 M C S 43.45 14.14 7.76 22.01 120.50 103.64 -77.89 147.77 99.58 0.26 0.16 15.43 83.83 0.37 0.10 0.02 0.00 0.06 0.17 17 P C C 75.11 2.17 17.83 19.25 115.94 -102.02 -65.62 153.74 98.15 1.68 0.17 98.16 0.25 0.07 0.11 0.01 0.00 0.26 1.15 18 M H H 101.74 8.85 11.24 21.30 91.84 -110.63 -57.92 -38.30 1.97 0.01 98.02 0.39 0.28 1.14 97.30 0.89 0.00 0.00 0.00 19 D H H 103.31 1.55 16.22 17.37 91.80 54.97 -64.39 -38.42 0.67 0.00 99.33 0.05 0.05 0.50 98.52 0.89 0.00 0.00 0.00 20 E H H 82.07 5.39 15.65 22.38 91.91 49.43 -66.34 -39.06 0.29 0.00 99.71 0.02 0.02 0.21 98.82 0.92 0.00 0.00 0.00 21 F H H 36.87 16.23 12.28 28.83 92.00 51.59 -63.95 -41.68 0.28 0.00 99.72 0.02 0.01 0.20 99.05 0.71 0.00 0.00 0.00 22 I H H 77.44 7.11 16.84 24.92 91.92 51.18 -64.43 -39.14 1.78 0.00 98.22 0.06 0.05 1.69 94.86 3.34 0.00 0.00 0.00 23 K H H 132.95 2.35 19.39 21.64 92.24 52.40 -67.56 -33.95 13.82 0.00 86.18 0.14 0.23 15.06 80.43 4.13 0.01 0.00 0.00 24 L H H 42.76 13.15 15.39 29.12 94.99 50.56 -76.20 -30.40 21.73 0.02 78.25 0.64 1.17 20.19 73.75 4.19 0.03 0.01 0.02 25 L H H 48.86 14.08 15.76 30.00 94.50 64.29 -64.11 -42.40 22.86 0.50 76.64 9.35 5.48 8.45 60.42 15.77 0.06 0.24 0.23 26 P H H 67.17 5.08 18.47 24.28 92.72 50.91 -65.99 -36.59 21.60 0.57 77.83 9.91 2.69 8.30 60.98 17.57 0.01 0.34 0.20 27 S H H 46.71 8.05 16.80 25.97 94.26 55.39 -68.52 -33.03 17.92 0.85 81.23 7.29 2.89 7.60 62.92 18.46 0.05 0.52 0.27 28 R H H 94.99 12.25 15.89 28.04 95.73 54.07 -77.26 -18.49 24.36 2.21 73.43 11.61 5.00 9.38 60.67 11.21 0.09 1.34 0.70 29 Q H H 87.87 9.90 15.73 26.23 99.73 79.37 -76.80 -8.68 38.51 2.68 58.80 20.68 8.17 11.50 50.36 6.80 0.06 1.52 0.91 30 R C H 133.52 5.89 16.66 23.71 107.95 81.42 -86.37 99.68 49.21 2.43 48.37 29.56 8.41 11.76 42.62 5.40 0.03 1.27 0.94 31 R C H 96.40 10.74 14.23 25.68 115.67 -153.65 -84.17 138.65 49.34 2.39 48.27 33.45 8.31 8.30 42.62 5.15 0.02 1.21 0.94 32 S H H 42.41 9.80 15.46 26.28 109.91 -124.99 -78.36 148.45 40.06 3.12 56.82 27.63 6.44 7.66 47.28 7.96 0.04 1.68 1.31 33 L H H 79.60 12.43 13.17 25.52 96.82 -115.67 -68.54 -24.56 28.71 1.92 69.37 11.84 5.73 12.31 48.20 19.89 0.14 1.24 0.63 34 K H H 145.31 3.01 16.37 20.30 96.48 62.56 -73.01 -26.13 33.75 1.78 64.48 10.05 6.87 17.33 45.13 18.61 0.21 1.08 0.71 35 R C H 140.16 4.63 15.78 21.29 99.25 47.94 -91.01 -3.05 49.80 1.79 48.41 11.77 11.95 27.45 32.48 14.32 0.18 0.86 0.99 36 G C C 25.27 9.44 16.22 26.82 126.93 -118.74 93.70 177.82 94.90 1.53 3.57 54.21 17.42 23.63 1.71 1.50 0.00 0.76 0.78 37 F C C 40.85 20.20 11.55 30.79 117.72 -56.10 -88.19 138.93 95.80 2.68 1.52 87.29 7.08 1.06 1.09 0.41 0.00 0.92 2.14 38 S C C 45.75 5.42 17.22 23.75 121.64 -122.27 -77.94 165.20 97.74 0.71 1.55 95.56 1.93 0.36 1.41 0.13 0.00 0.22 0.39 39 D H H 108.67 2.49 16.07 19.53 91.38 -98.86 -58.72 -37.82 3.76 0.01 96.23 1.00 0.62 1.99 95.52 0.86 0.00 0.00 0.00 40 K H H 107.80 5.37 17.80 24.09 91.67 53.06 -64.33 -40.21 1.98 0.00 98.01 0.35 0.18 1.25 97.22 0.98 0.00 0.00 0.00 41 Q H H 25.77 18.61 14.25 32.64 91.96 49.83 -65.65 -40.47 1.05 0.01 98.94 0.28 0.09 0.58 98.17 0.87 0.00 0.00 0.00 42 R H H 103.02 9.21 19.08 28.81 91.42 52.41 -62.88 -40.95 0.40 0.00 99.59 0.11 0.03 0.19 99.50 0.16 0.00 0.00 0.00 43 R H H 122.19 2.91 23.18 25.20 91.54 50.46 -64.07 -41.82 0.25 0.00 99.75 0.05 0.01 0.14 99.74 0.06 0.00 0.00 0.00 44 L H H 15.09 16.98 19.39 36.93 91.69 50.08 -64.00 -43.34 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 45 L H H 17.92 18.85 19.00 37.77 91.45 50.86 -63.29 -41.92 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 46 E H H 90.58 3.90 23.87 27.46 91.34 51.04 -63.86 -41.69 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 47 K H H 80.81 7.45 22.63 30.44 91.87 49.99 -65.25 -41.14 0.22 0.00 99.78 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 48 I H H 10.05 21.50 16.98 38.59 91.59 50.32 -63.67 -42.63 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 49 R H H 99.23 8.61 21.02 30.00 91.63 51.75 -63.47 -41.29 0.34 0.00 99.66 0.04 0.02 0.21 99.65 0.08 0.00 0.00 0.00 50 K H H 105.63 2.53 21.93 23.34 91.73 50.11 -64.60 -41.44 0.98 0.00 99.01 0.11 0.06 0.70 98.92 0.21 0.00 0.00 0.00 51 I H H 24.96 11.94 15.08 28.95 91.79 50.48 -64.48 -41.51 2.00 0.01 97.99 0.31 0.17 1.33 97.73 0.45 0.00 0.00 0.00 52 S H H 38.49 12.25 13.68 26.50 92.29 51.57 -64.80 -38.76 7.17 0.05 92.77 1.33 0.65 4.86 92.24 0.88 0.01 0.02 0.02 53 R H H 167.15 1.59 15.88 17.46 92.38 51.90 -67.59 -32.26 18.35 0.13 81.52 2.64 1.82 13.32 80.87 1.20 0.03 0.05 0.07 54 E H H 125.07 2.74 13.66 17.08 95.18 50.78 -81.18 -10.47 45.62 0.38 54.01 9.95 7.68 27.35 53.04 1.59 0.03 0.13 0.23 55 G C C 50.24 4.38 12.85 18.65 99.73 -104.26 79.58 9.02 85.34 0.47 14.20 40.14 10.92 33.80 12.49 2.18 0.00 0.21 0.27 56 K C C 118.23 5.26 11.96 18.88 108.53 122.76 -90.55 101.37 93.36 0.80 5.84 68.93 10.33 14.24 3.11 2.52 0.00 0.41 0.44 57 Q C C 105.78 7.44 11.89 20.53 112.67 -142.05 -92.01 130.68 95.38 1.05 3.57 68.75 13.72 13.05 1.33 2.08 0.00 0.56 0.51 58 N C C 115.00 3.74 15.75 20.60 105.44 -71.18 -83.44 81.19 96.92 1.09 2.00 64.44 20.11 12.32 0.45 1.65 0.00 0.71 0.33 59 K C C 93.28 9.51 15.75 26.10 118.95 95.34 -97.59 141.50 93.67 5.27 1.06 65.90 25.33 2.54 0.20 0.88 0.00 4.58 0.57 60 V C C 58.06 11.88 18.97 31.24 117.07 -133.24 -92.93 135.12 68.24 31.38 0.38 63.12 3.49 0.46 0.09 0.24 0.00 31.78 0.82 61 I E E 12.76 22.70 16.50 39.43 118.11 -151.90 -106.17 128.74 14.74 85.18 0.09 14.07 0.62 0.07 0.06 0.04 0.00 81.12 4.03 62 K E E 88.10 9.84 26.06 36.24 119.26 -151.87 -100.81 133.94 12.79 87.16 0.04 12.75 0.39 0.04 0.03 0.02 0.00 84.90 1.87 63 T E E 10.34 23.93 15.69 39.36 128.03 -171.05 -122.64 147.55 48.76 51.12 0.12 46.33 1.60 0.18 0.04 0.08 0.00 50.01 1.76 64 H C C 73.95 10.47 23.43 34.23 101.32 -155.71 -93.32 -14.45 84.43 15.21 0.36 41.50 41.19 2.56 0.06 0.33 0.00 12.97 1.37 65 V C C 32.15 16.79 18.54 35.05 116.53 59.04 -111.07 116.64 90.29 7.98 1.73 64.34 21.47 4.51 0.37 1.57 0.00 5.45 2.30 66 R C T 103.80 13.27 19.02 31.88 98.07 -170.39 -82.29 -21.97 85.13 4.52 10.35 21.93 21.95 41.58 1.06 9.40 0.00 3.01 1.07 67 N C T 89.09 7.36 22.01 29.66 97.89 49.74 -90.59 14.37 86.66 2.84 10.50 16.07 27.20 43.44 0.89 9.77 0.00 2.01 0.61 68 M C C 30.74 19.36 15.88 34.93 123.79 106.62 -104.28 143.54 83.45 8.43 8.12 60.56 19.35 3.79 1.06 7.27 0.00 6.06 1.91 69 V C C 58.62 10.46 24.38 35.31 115.02 -129.61 -94.88 129.15 63.36 35.69 0.96 56.47 5.84 0.72 0.47 0.56 0.00 24.76 11.19 70 I C C 18.88 23.13 16.32 39.63 116.00 -152.64 -102.35 125.77 54.21 45.67 0.12 52.96 2.47 0.09 0.07 0.05 0.00 21.56 22.79 71 L C C 41.09 12.29 20.49 33.57 112.03 -138.29 -82.84 129.39 99.58 0.40 0.03 99.30 0.41 0.02 0.01 0.01 0.00 0.19 0.06 72 P H G 61.68 11.57 17.37 29.81 91.04 -131.08 -59.65 -29.89 9.90 0.09 90.01 0.99 0.82 6.89 1.59 89.64 0.00 0.07 0.01 73 E H G 106.82 6.88 20.84 28.70 89.59 65.30 -67.35 -18.37 8.58 0.05 91.37 0.27 0.47 7.19 1.10 90.93 0.00 0.03 0.00 74 M H G 10.27 22.44 14.68 37.79 94.23 57.36 -92.05 -6.07 8.45 0.07 91.48 0.91 0.75 5.31 0.97 92.01 0.00 0.05 0.01 75 V C T 48.83 15.49 15.72 31.67 111.92 113.74 -62.80 132.07 97.31 0.87 1.83 0.50 1.37 96.23 0.20 0.82 0.00 0.25 0.62 76 G C T 44.62 4.18 21.99 27.00 94.51 21.40 86.18 -3.76 99.68 0.10 0.22 0.23 1.62 97.94 0.01 0.13 0.00 0.06 0.01 77 L C C 29.46 17.43 15.67 33.59 120.33 126.86 -82.05 147.57 96.58 3.40 0.02 89.45 6.97 0.12 0.00 0.02 0.00 3.31 0.13 78 R E E 98.19 9.42 24.50 34.43 117.12 -133.86 -101.34 128.89 1.86 98.14 0.00 1.83 0.06 0.00 0.00 0.00 0.00 97.82 0.29 79 F E E 6.12 25.16 17.75 43.50 125.73 -170.72 -120.72 140.08 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 80 A E E 16.14 13.57 25.83 40.22 118.47 -142.41 -102.00 134.60 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 81 V E E 6.32 22.97 20.00 43.25 121.75 -164.25 -116.35 131.85 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.01 82 Y E E 41.26 14.49 19.95 35.28 116.43 -157.89 -106.91 123.15 4.42 95.56 0.02 3.69 0.40 0.05 0.00 0.01 0.00 95.71 0.14 83 N E E 52.44 10.84 18.22 30.43 100.90 176.28 -107.35 17.54 44.99 54.48 0.54 28.36 10.34 5.97 0.05 0.56 0.00 54.13 0.59 84 G C T 35.81 9.66 15.61 25.53 98.76 -93.38 78.99 -5.05 98.78 0.44 0.79 2.79 35.74 60.15 0.02 0.93 0.00 0.29 0.09 85 K C T 148.21 2.12 16.38 18.88 104.38 44.96 -102.82 -24.00 98.92 0.49 0.59 2.40 41.96 54.57 0.02 0.64 0.00 0.33 0.08 86 E E E 119.77 2.20 18.42 20.66 129.78 27.49 -131.28 148.39 31.46 68.45 0.08 20.93 10.49 0.69 0.01 0.08 0.00 67.14 0.66 87 F E E 84.77 16.37 11.08 26.77 117.08 -122.74 -91.28 133.38 9.34 90.66 0.00 8.76 0.27 0.01 0.00 0.00 0.00 90.84 0.12 88 V E E 53.15 8.97 18.19 28.70 122.89 -167.91 -122.29 133.43 0.83 99.17 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.18 0.01 89 E E E 113.27 7.32 18.61 27.34 114.98 -124.37 -80.00 134.06 0.52 99.48 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 90 F E E 29.44 18.72 13.91 32.64 131.71 -174.84 -132.39 149.55 1.22 98.78 0.00 1.23 0.01 0.00 0.00 0.00 0.00 98.75 0.01 91 Q E E 103.67 4.62 24.48 29.44 115.67 -128.46 -91.68 131.48 1.65 98.35 0.00 1.70 0.02 0.00 0.00 0.00 0.00 98.24 0.04 92 V E E 9.22 24.57 11.48 36.45 113.43 -140.43 -92.94 126.49 21.19 78.81 0.01 21.48 0.20 0.01 0.00 0.00 0.00 77.64 0.67 93 V C C 58.26 5.45 23.28 28.85 130.45 177.21 -125.21 157.74 98.60 1.35 0.05 98.25 0.63 0.04 0.01 0.02 0.00 0.97 0.08 94 P H G 72.66 11.58 14.70 26.78 90.92 -105.82 -58.47 -33.03 8.02 0.08 91.90 0.56 0.68 5.45 0.90 92.35 0.00 0.06 0.00 95 E H G 135.08 2.76 19.90 23.03 89.65 62.93 -68.31 -17.29 7.31 0.05 92.64 0.33 0.47 5.35 0.78 93.04 0.00 0.04 0.00 96 M H G 25.15 18.79 14.03 33.23 94.36 55.47 -92.89 -5.68 8.56 0.13 91.31 1.30 1.02 4.65 0.96 91.96 0.00 0.09 0.01 97 I C T 49.57 17.01 15.17 32.30 112.96 114.52 -64.64 133.90 94.19 3.24 2.57 5.84 5.50 83.30 0.70 1.51 0.00 1.52 1.62 98 G C T 34.96 8.98 21.73 31.46 94.48 20.33 84.14 -3.29 97.21 1.17 1.61 3.90 7.21 86.25 0.37 1.14 0.00 0.83 0.30 99 R C C 73.95 13.31 20.09 33.36 124.90 121.94 -91.93 154.56 88.88 6.44 4.68 66.94 16.82 4.86 2.49 2.16 0.00 3.10 3.63 100 Y C C 70.30 13.69 23.08 36.27 116.54 -103.50 -79.63 144.31 51.09 39.41 9.50 35.11 7.36 5.12 6.43 2.82 0.05 8.50 34.61 101 L H T 18.55 23.08 17.53 40.16 95.22 -106.88 -63.66 -26.36 45.68 3.35 50.97 6.49 7.26 30.67 20.83 30.66 0.31 2.08 1.70 102 G H G 24.71 13.88 21.01 34.25 93.61 49.58 -34.29 -18.45 40.56 1.27 58.17 5.07 5.64 28.26 24.20 35.22 0.14 0.70 0.78 103 E H G 81.37 10.26 21.35 31.89 93.38 80.35 -72.71 -25.38 35.84 1.63 62.53 6.98 7.13 21.04 25.89 37.06 0.13 0.90 0.87 104 Y C T 61.17 16.66 17.62 33.87 100.99 38.78 -100.90 -10.84 47.57 5.26 47.16 11.44 11.76 23.89 23.83 23.09 0.61 2.40 2.97 105 S C C 29.42 16.64 16.32 32.46 119.58 63.91 -98.20 143.43 63.60 7.67 28.73 33.29 18.49 13.37 16.48 10.78 0.19 3.85 3.54 106 I C C 89.71 7.75 20.06 28.22 105.97 -120.90 -82.22 86.90 69.30 10.10 20.60 43.59 12.51 12.89 11.92 8.73 0.05 5.84 4.48 107 T C C 40.77 16.63 11.80 27.83 116.77 75.82 -97.37 131.86 79.68 9.17 11.15 57.65 12.18 9.22 6.06 5.18 0.01 5.25 4.44 108 T C C 94.47 4.59 16.16 21.71 100.04 102.63 -99.73 -0.70 86.96 8.16 4.87 50.76 29.53 7.06 2.25 2.48 0.01 4.67 3.23 109 K C C 119.25 4.10 14.61 20.37 121.18 92.40 -94.52 141.84 91.25 7.90 0.85 48.54 41.57 1.93 0.33 0.47 0.00 5.25 1.89 110 K C C 141.36 4.03 14.07 19.92 113.80 -106.74 -71.11 139.17 87.66 11.81 0.53 82.79 4.07 0.83 0.19 0.30 0.00 9.07 2.75 111 V C C 61.59 13.48 8.73 22.08 117.58 -142.04 -97.95 134.58 82.36 17.18 0.46 78.79 2.79 0.69 0.18 0.26 0.00 13.62 3.66 112 E C C 140.73 2.33 14.28 17.97 117.70 -156.04 -106.89 132.13 69.58 29.97 0.46 65.12 2.89 0.66 0.22 0.25 0.00 23.53 7.32 113 H C C 119.55 7.52 8.63 17.49 116.01 -153.82 -100.64 133.92 78.88 20.81 0.31 77.70 1.05 0.80 0.13 0.13 0.00 16.59 3.61 114 G C C 52.57 2.61 13.90 17.49 112.56 13.69 85.42 -139.27 99.83 0.16 0.01 99.57 0.22 0.09 0.00 0.00 0.00 0.11 0.01