# 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 A C C 60.68 7.74 10.97 19.85 113.58 -160.60 -88.74 132.25 99.84 0.03 0.12 99.75 0.08 0.08 0.07 0.00 0.00 0.01 0.00 1 E C C 142.13 2.01 11.54 14.59 109.63 -142.30 -90.52 116.85 68.58 1.18 30.23 64.25 1.22 3.63 28.34 1.54 0.00 0.51 0.51 2 I H H 102.84 5.16 8.27 15.01 106.89 62.81 -82.10 88.40 40.93 1.29 57.78 28.65 6.00 7.63 51.89 4.69 0.01 0.71 0.43 3 A H H 64.50 4.49 10.13 16.22 107.43 -124.96 -77.16 127.37 35.17 0.98 63.85 25.02 4.78 6.65 57.85 4.83 0.01 0.55 0.31 4 R H H 152.29 2.91 11.96 16.09 102.24 -126.12 -75.53 -23.44 25.36 0.69 73.95 16.76 4.89 5.49 67.24 5.01 0.01 0.37 0.23 5 S H H 65.50 3.80 12.00 17.04 100.03 54.64 -73.61 -32.11 25.77 0.59 73.64 17.38 4.08 5.59 68.63 3.83 0.01 0.31 0.19 6 S H H 59.70 5.11 11.46 18.04 97.22 59.04 -70.46 -31.56 26.47 0.64 72.88 17.95 4.06 5.76 67.98 3.69 0.01 0.34 0.21 7 V H H 84.17 4.71 12.15 18.26 95.67 56.74 -72.17 -34.25 22.04 0.63 77.33 14.19 4.11 5.20 72.44 3.52 0.01 0.33 0.20 8 E H H 116.67 2.93 13.47 17.30 95.29 55.40 -70.25 -34.60 22.87 0.57 76.56 13.51 4.11 6.44 71.82 3.62 0.01 0.30 0.20 9 N H H 88.81 4.18 12.00 17.58 98.26 54.52 -76.92 -21.35 29.10 0.52 70.38 16.55 4.74 8.77 64.73 4.73 0.01 0.27 0.21 10 A H H 61.93 5.61 10.87 18.03 95.90 69.53 -70.44 -30.70 32.13 0.77 67.10 16.65 5.46 11.23 57.63 8.27 0.02 0.42 0.32 11 Q H H 120.86 3.27 11.94 16.45 96.91 58.73 -75.69 -18.26 41.22 1.37 57.41 18.95 7.36 16.71 47.75 7.84 0.06 0.73 0.60 12 M C H 116.14 4.11 10.99 16.53 102.22 60.55 -87.19 2.83 56.38 1.80 41.82 26.92 12.60 18.24 33.89 6.61 0.06 0.83 0.87 13 R C C 158.06 3.20 11.94 16.68 107.34 102.96 -86.61 92.53 78.28 2.63 19.09 47.63 19.29 10.97 15.13 4.53 0.01 1.33 1.12 14 F C C 128.42 5.90 9.58 17.13 111.96 101.19 -90.00 130.65 79.06 5.00 15.93 54.05 12.22 12.37 10.59 5.83 0.01 3.45 1.49 15 N C C 110.98 3.93 11.29 16.92 113.25 -162.89 -102.79 122.08 74.26 13.30 12.44 49.16 11.85 13.08 7.24 5.39 0.03 9.88 3.38 16 S C C 78.89 3.94 10.75 16.50 117.68 108.41 -104.81 137.85 75.67 16.40 7.93 44.93 17.54 13.86 3.81 4.01 0.04 12.17 3.64 17 G C C 48.11 5.02 11.62 18.24 124.82 83.52 -104.38 170.03 80.12 17.82 2.06 37.69 31.12 12.12 0.49 1.53 0.00 15.37 1.67 18 K C C 126.49 5.24 13.41 20.15 120.74 -93.68 -108.03 138.46 68.52 29.64 1.84 45.58 18.13 4.46 0.47 1.32 0.00 28.71 1.32 19 S E E 67.22 7.84 13.03 22.35 123.29 -154.56 -111.92 140.30 34.84 64.28 0.88 30.28 3.52 0.79 0.32 0.53 0.00 62.60 1.95 20 I E E 64.49 10.99 12.87 25.17 121.60 -165.90 -120.40 131.91 16.62 83.23 0.16 15.61 0.86 0.10 0.09 0.07 0.00 81.63 1.63 21 I E E 109.66 3.95 17.38 22.27 113.58 -134.78 -87.27 127.86 19.75 80.12 0.13 19.15 0.62 0.09 0.07 0.06 0.00 78.28 1.73 22 V C C 43.41 14.38 8.66 23.18 119.57 -167.83 -113.73 130.83 73.73 25.86 0.41 71.31 1.68 0.31 0.17 0.18 0.00 24.94 1.40 23 N C C 106.88 2.97 13.55 17.44 116.94 -160.90 -113.60 131.94 85.86 10.08 4.06 54.95 15.56 15.37 0.99 3.11 0.00 7.60 2.42 24 K C T 174.68 0.86 13.79 14.01 94.86 -10.21 53.71 40.19 94.79 0.32 4.89 1.69 13.25 80.33 0.58 3.81 0.00 0.18 0.16 25 N C T 117.40 4.48 12.02 18.05 94.81 -52.18 64.35 22.81 94.97 0.41 4.62 4.29 14.77 75.91 0.60 3.98 0.00 0.24 0.20 26 N C C 72.82 4.74 14.31 20.76 108.01 135.53 -103.60 96.64 94.33 4.21 1.46 88.67 5.11 0.68 1.00 0.38 0.00 1.53 2.63 27 P H H 58.85 11.41 11.78 24.27 94.31 176.73 -64.61 -35.53 5.29 0.04 94.67 2.31 0.64 2.32 93.82 0.87 0.00 0.02 0.01 28 A H H 64.32 3.33 17.61 20.94 91.85 55.17 -64.31 -40.65 1.58 0.01 98.41 0.27 0.13 1.00 97.87 0.72 0.00 0.00 0.00 29 E H H 93.45 2.78 18.94 21.48 91.95 49.74 -65.68 -40.76 0.36 0.00 99.64 0.07 0.03 0.19 99.25 0.46 0.00 0.00 0.00 30 S H H 18.13 12.35 14.21 28.20 91.68 51.91 -63.53 -42.16 0.18 0.00 99.82 0.03 0.01 0.09 99.73 0.13 0.00 0.00 0.00 31 F H H 81.72 9.55 17.39 27.48 91.91 50.40 -63.99 -41.21 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 32 K H H 121.39 1.96 20.36 21.24 91.65 50.76 -64.26 -41.34 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 33 R H H 111.57 4.69 19.16 24.33 91.88 49.35 -65.21 -41.37 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 34 L H H 36.82 14.51 15.29 30.40 91.78 50.14 -64.35 -41.25 0.08 0.00 99.92 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 35 N H H 73.32 6.83 17.74 25.52 91.56 52.06 -63.03 -40.25 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 36 R H H 130.72 1.80 20.00 20.35 91.90 50.47 -64.63 -41.50 0.15 0.00 99.85 0.01 0.01 0.08 99.88 0.01 0.00 0.00 0.00 37 I H H 55.08 7.36 16.95 25.90 92.11 49.28 -64.89 -41.83 0.16 0.00 99.84 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 38 M H H 38.08 12.86 12.81 26.76 92.19 50.08 -64.87 -40.99 0.48 0.00 99.51 0.06 0.03 0.29 99.55 0.07 0.00 0.00 0.00 39 F H H 131.37 2.73 15.86 19.18 92.48 49.65 -65.54 -40.16 1.56 0.00 98.43 0.12 0.08 1.19 98.40 0.20 0.00 0.00 0.00 40 E H H 138.60 1.30 15.94 16.51 91.95 51.03 -66.54 -33.69 6.44 0.00 93.55 0.15 0.23 6.03 93.34 0.23 0.00 0.00 0.00 41 N C T 76.25 6.45 12.42 20.54 95.71 45.86 -92.51 4.38 86.23 0.02 13.74 0.51 2.61 81.28 15.17 0.39 0.00 0.00 0.02 42 N C T 111.51 3.27 16.25 20.64 94.14 -119.10 61.96 33.70 97.71 0.02 2.27 3.62 3.20 90.70 2.28 0.18 0.00 0.01 0.01 43 I H H 44.82 10.69 12.85 25.27 95.84 138.07 -71.43 -35.89 8.61 0.03 91.36 6.37 0.95 1.64 89.88 1.13 0.00 0.01 0.01 44 P H H 54.35 7.46 15.65 24.62 92.95 54.93 -62.09 -41.07 3.75 0.02 96.23 1.04 0.35 2.09 93.91 2.59 0.00 0.01 0.00 45 G H H 35.83 3.38 17.09 21.06 92.50 51.03 -65.05 -39.93 2.34 0.01 97.64 0.54 0.24 1.38 95.15 2.69 0.00 0.01 0.00 46 D H H 70.14 5.08 16.01 22.13 92.82 50.46 -66.34 -39.20 2.14 0.01 97.84 0.56 0.25 1.18 96.03 1.96 0.00 0.01 0.00 47 K H H 88.75 7.28 14.66 23.18 92.82 51.79 -65.14 -40.12 3.20 0.02 96.77 0.68 0.35 1.98 95.25 1.72 0.00 0.01 0.01 48 R H H 131.86 2.91 15.62 19.10 92.86 50.42 -66.05 -39.38 5.69 0.03 94.28 0.92 0.58 3.93 91.59 2.94 0.01 0.02 0.01 49 S H H 61.23 3.21 14.10 18.27 92.89 52.25 -66.88 -35.99 13.47 0.04 86.49 1.65 1.19 10.14 82.51 4.44 0.02 0.02 0.02 50 Q H H 88.15 6.46 11.39 19.34 94.47 55.88 -72.79 -24.14 28.64 0.18 71.18 6.74 3.14 18.57 62.07 9.28 0.03 0.08 0.11 51 R H H 153.22 2.92 12.89 17.11 94.01 63.24 -70.29 -27.08 45.49 0.50 54.00 8.84 6.74 29.82 41.95 12.02 0.08 0.24 0.32 52 F C T 144.21 2.22 12.67 15.54 102.41 47.98 -93.52 -3.82 58.35 1.33 40.32 13.59 12.12 33.24 28.80 10.74 0.11 0.60 0.80 53 Y C C 138.59 4.84 10.23 16.87 112.55 96.32 -89.22 117.15 78.85 5.51 15.64 50.77 15.36 12.47 10.78 4.79 0.02 2.49 3.32 54 M C C 97.41 6.95 9.74 18.41 116.64 -154.74 -96.09 135.62 88.29 4.77 6.93 70.92 12.79 3.52 6.07 1.48 0.00 1.83 3.39 55 K C C 122.69 3.37 11.32 16.38 115.61 -113.88 -73.60 149.91 91.88 0.51 7.61 81.04 6.46 3.84 6.99 1.17 0.00 0.21 0.29 56 P C T 104.58 2.31 11.79 15.36 105.42 -90.13 -63.68 135.70 68.58 0.27 31.15 14.38 8.75 44.28 28.55 3.73 0.01 0.12 0.18 57 G C H 44.35 3.47 12.04 16.65 103.19 30.30 71.35 -20.10 61.08 0.32 38.60 16.65 7.74 35.84 35.88 3.54 0.01 0.12 0.22 58 K H H 114.35 3.70 13.26 18.12 94.72 61.77 -67.82 -38.16 15.47 0.21 84.31 9.61 3.09 3.68 81.77 1.68 0.00 0.08 0.08 59 V H H 71.16 4.39 13.93 19.74 92.68 51.70 -64.81 -41.98 3.83 0.05 96.12 1.90 0.59 1.38 95.31 0.78 0.00 0.02 0.01 60 A H H 48.94 3.31 15.02 19.48 91.98 51.07 -63.80 -41.33 1.89 0.03 98.08 0.86 0.25 0.75 97.52 0.60 0.00 0.01 0.01 61 E H H 98.20 3.13 16.18 19.81 91.88 50.22 -64.80 -40.72 1.13 0.01 98.85 0.45 0.13 0.48 98.54 0.38 0.00 0.01 0.00 62 L H H 80.35 4.38 15.63 21.02 92.24 50.36 -64.96 -40.98 1.00 0.01 99.00 0.32 0.10 0.47 98.88 0.22 0.00 0.00 0.00 63 K H H 109.15 2.78 16.99 19.91 91.95 50.07 -64.48 -41.34 0.94 0.00 99.05 0.25 0.09 0.48 99.02 0.16 0.00 0.00 0.00 64 R H H 129.84 2.36 17.24 19.49 91.97 49.77 -64.57 -40.93 0.96 0.00 99.04 0.25 0.09 0.49 99.03 0.14 0.00 0.00 0.00 65 S H H 46.40 4.62 15.62 21.35 91.92 50.37 -64.57 -40.86 1.44 0.00 98.55 0.36 0.13 0.77 98.57 0.16 0.00 0.00 0.00 66 Q H H 89.33 3.19 16.67 20.17 91.96 50.48 -64.42 -41.33 1.41 0.00 98.58 0.35 0.14 0.76 98.62 0.13 0.00 0.00 0.00 67 R H H 123.79 2.21 17.21 19.00 91.90 50.20 -64.48 -41.61 1.07 0.00 98.93 0.31 0.10 0.52 98.97 0.10 0.00 0.00 0.00 68 H H H 95.07 3.49 16.17 20.32 92.09 50.10 -64.33 -41.44 0.74 0.00 99.26 0.19 0.06 0.37 99.29 0.08 0.00 0.00 0.00 69 R H H 120.32 4.08 16.15 20.66 91.97 50.27 -64.27 -40.97 0.38 0.00 99.62 0.07 0.03 0.20 99.64 0.06 0.00 0.00 0.00 70 K H H 113.54 2.29 17.22 19.17 91.89 49.89 -64.41 -41.50 0.26 0.00 99.74 0.04 0.02 0.15 99.75 0.05 0.00 0.00 0.00 71 E H H 105.87 2.43 17.34 19.55 91.95 49.64 -64.42 -41.77 0.25 0.00 99.75 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 72 F H H 97.07 4.87 16.02 21.59 92.10 49.38 -64.53 -41.96 0.25 0.00 99.75 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 73 M H H 93.22 3.94 17.11 21.38 91.88 50.34 -63.99 -41.15 0.31 0.00 99.69 0.03 0.02 0.20 99.70 0.05 0.00 0.00 0.00 74 M H H 94.02 2.31 18.03 19.84 91.77 49.80 -64.56 -41.32 0.27 0.00 99.73 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 75 G H H 28.05 4.07 16.40 21.63 91.70 50.84 -63.42 -41.96 0.47 0.00 99.53 0.05 0.02 0.30 99.58 0.05 0.00 0.00 0.00 76 F H H 91.36 6.06 16.08 22.80 92.24 49.79 -64.93 -41.37 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 77 K H H 115.82 2.93 17.36 20.37 91.70 51.27 -63.81 -41.23 0.11 0.00 99.89 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 78 R H H 137.13 1.81 18.10 19.11 91.92 49.87 -64.68 -41.32 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 79 L H H 72.50 5.39 16.69 22.84 92.09 49.87 -64.39 -41.82 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 80 I H H 69.37 6.22 15.97 22.97 91.79 49.68 -64.05 -41.77 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 81 E H H 104.31 2.09 18.20 19.62 91.68 50.45 -64.23 -41.29 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 82 I H H 84.09 3.38 17.41 21.07 92.02 49.68 -64.55 -42.14 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 83 V H H 56.33 7.16 15.20 23.28 91.88 49.40 -64.31 -42.50 0.10 0.00 99.90 0.01 0.01 0.06 99.90 0.03 0.00 0.00 0.00 84 K H H 106.89 2.90 17.02 19.90 91.93 49.73 -64.11 -41.09 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 85 D H H 77.88 1.96 16.19 17.78 91.91 49.66 -64.24 -40.75 0.48 0.00 99.52 0.05 0.02 0.30 99.53 0.09 0.00 0.00 0.00 86 A H H 41.72 5.65 11.84 19.33 92.14 51.51 -64.63 -39.53 1.20 0.00 98.80 0.15 0.09 0.76 98.73 0.27 0.00 0.00 0.00 87 K H H 126.38 3.51 12.27 16.83 92.40 51.53 -65.39 -38.24 3.39 0.01 96.61 0.41 0.26 2.40 96.09 0.84 0.00 0.00 0.00 88 R H H 181.47 0.79 12.52 12.64 92.57 51.33 -68.61 -30.91 12.88 0.02 87.09 0.74 0.78 11.02 86.33 1.10 0.01 0.01 0.01 89 K C T 145.84 1.59 10.56 12.78 96.06 51.71 -85.17 -6.41 60.88 0.08 39.04 1.78 2.98 54.21 39.42 1.51 0.01 0.02 0.07 90 G C T 53.75 2.19 11.70 14.94 100.90 -102.44 83.32 10.90 97.51 0.09 2.40 23.09 1.54 73.15 1.84 0.30 0.00 0.04 0.05 91 Y C C 114.60 8.93 10.62 20.39 107.25 139.83 -81.15 101.00 99.94 0.05 0.01 99.88 0.07 0.03 0.00 0.00 0.00 0.02 0.01