# 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 124.71 4.49 10.09 16.27 111.75 -155.61 -92.54 130.67 99.86 0.13 0.01 99.66 0.20 0.05 0.00 0.00 0.00 0.06 0.02 1 G C C 57.04 2.26 9.73 13.41 113.68 -108.36 -52.87 160.58 96.93 1.89 1.18 88.59 2.11 6.43 0.26 0.73 0.00 1.06 0.83 2 G C C 59.20 1.50 9.04 11.74 115.43 -48.84 101.27 -24.30 92.72 4.97 2.31 52.11 23.63 16.83 0.37 2.30 0.00 2.97 1.79 3 N C C 133.82 1.23 8.68 10.99 112.24 -50.91 -91.61 124.78 90.82 6.17 3.01 41.92 28.43 20.79 0.39 2.98 0.00 4.09 1.40 4 G C C 55.18 2.37 8.40 12.61 119.46 105.58 -126.59 169.34 81.11 16.43 2.46 45.78 24.17 11.84 0.40 2.31 0.00 13.61 1.90 5 H C C 151.13 1.79 9.35 12.71 118.24 -107.89 -104.02 137.40 60.52 37.86 1.61 48.03 8.89 2.55 0.58 1.23 0.00 33.45 5.27 6 Y C C 167.78 3.00 7.46 12.56 115.18 -139.11 -94.53 130.96 51.72 46.90 1.38 43.82 4.42 1.54 0.64 0.86 0.00 41.40 7.31 7 M C C 136.27 2.35 8.29 12.29 112.51 -167.11 -103.78 116.42 67.64 29.45 2.92 50.82 10.52 5.40 1.22 1.85 0.01 26.16 4.04 8 G C C 48.42 2.91 10.18 14.53 121.17 -44.46 111.52 -169.68 76.65 13.73 9.62 36.29 24.26 17.85 3.07 5.81 0.06 9.65 3.02 9 W C C 191.69 2.08 10.51 13.73 106.30 -51.03 -86.53 68.88 71.95 7.84 20.21 32.18 18.87 22.59 6.29 12.63 0.08 4.38 2.98 10 W C T 170.76 3.75 8.77 14.11 107.18 56.66 -82.97 109.74 60.49 4.50 35.02 18.25 13.58 30.13 8.59 24.64 0.13 2.57 2.11 11 G C G 47.67 4.31 10.74 16.50 105.79 21.00 77.49 -19.74 56.05 3.25 40.71 15.56 12.43 29.41 8.55 30.63 0.09 1.77 1.56 12 H C G 140.68 2.60 10.51 14.41 102.11 38.06 -89.41 19.32 55.59 4.37 40.04 21.44 13.32 22.96 8.25 29.64 0.09 2.38 1.92 13 M C T 126.81 3.17 8.52 13.51 103.76 112.71 -82.97 31.36 70.78 5.16 24.06 22.04 17.05 33.10 7.03 15.37 0.10 2.60 2.72 14 G C C 61.69 1.24 10.67 12.37 103.14 -37.77 86.35 3.90 90.90 3.52 5.58 35.66 27.19 28.50 1.23 4.11 0.00 1.71 1.61 15 S C C 68.71 3.81 7.66 13.52 120.81 113.27 -93.37 148.75 96.64 3.13 0.23 52.79 43.42 0.84 0.06 0.14 0.00 1.31 1.44 16 P C C 106.83 1.47 10.90 13.06 115.48 -94.18 -67.58 150.89 98.67 1.21 0.13 82.60 15.42 0.74 0.03 0.09 0.00 0.67 0.45 17 P C C 111.52 2.14 8.67 12.88 113.69 -100.19 -65.82 145.04 96.62 2.83 0.55 86.43 8.30 1.93 0.16 0.38 0.00 1.60 1.20 18 Q C C 129.84 2.96 6.80 11.97 115.96 -128.10 -92.59 135.38 84.34 14.44 1.21 74.47 6.91 2.09 0.48 0.77 0.00 7.64 7.64 19 K C C 174.60 0.68 8.10 9.38 115.38 -148.47 -98.64 132.37 79.84 17.37 2.80 49.70 18.04 12.80 0.93 1.94 0.01 11.26 5.32 20 G C S 64.98 0.67 8.84 9.54 103.49 17.11 86.82 -0.62 83.58 12.81 3.61 31.55 32.74 20.58 1.05 2.28 0.02 9.70 2.08 21 I C C 135.07 1.65 6.20 9.58 114.57 111.68 -97.38 129.05 69.57 25.77 4.66 47.20 15.03 7.44 2.25 2.50 0.04 21.16 4.38 22 A C C 90.36 1.49 7.39 10.48 116.18 -166.07 -105.11 132.33 58.99 35.11 5.91 42.68 10.77 5.66 3.22 2.79 0.06 31.89 2.94 23 G C E 56.26 1.87 8.07 11.83 124.13 -165.25 -128.01 144.12 50.51 42.94 6.54 38.93 7.44 4.16 3.68 2.82 0.03 40.51 2.44 24 Y C E 171.23 2.28 7.71 12.30 122.67 -164.40 -122.85 141.28 48.68 45.30 6.02 38.08 7.03 3.53 3.62 2.38 0.03 42.93 2.39 25 T C C 106.24 1.80 9.09 12.81 122.11 -165.22 -119.19 140.65 54.51 42.12 3.37 42.26 8.72 2.88 2.24 1.33 0.01 39.72 2.84 26 I C C 116.57 3.70 7.60 13.43 117.92 -150.95 -102.37 135.13 62.87 35.84 1.29 52.53 8.61 0.91 1.04 0.51 0.00 27.82 8.58 27 S C C 60.61 3.35 9.54 14.69 116.91 -125.48 -84.00 145.43 98.31 1.26 0.42 95.45 2.85 0.29 0.29 0.08 0.00 0.79 0.25 28 P H G 103.28 2.49 9.75 13.88 93.50 -118.86 -61.83 -30.64 27.75 0.24 72.00 2.71 2.73 20.11 33.90 40.27 0.02 0.14 0.11 29 F H G 161.85 1.21 10.46 12.06 94.99 57.64 -76.67 -16.94 25.73 0.22 74.05 2.04 2.34 19.25 31.84 44.28 0.03 0.13 0.10 30 A H G 67.69 3.54 9.79 14.92 98.41 62.03 -83.96 -10.38 23.76 0.54 75.70 4.48 3.74 14.33 31.36 45.53 0.03 0.30 0.22 31 A C H 57.73 5.99 8.45 16.16 109.81 88.19 -87.24 114.76 49.54 1.75 48.71 16.82 14.07 20.02 26.30 20.54 0.16 0.64 1.45 32 R C C 149.29 2.91 10.33 14.87 113.10 -134.56 -90.64 126.26 79.59 1.07 19.33 51.02 17.23 11.14 7.11 12.19 0.00 0.42 0.88 33 P C T 105.61 2.06 10.16 13.59 96.60 -129.50 -65.49 -26.45 79.06 0.36 20.57 7.17 7.29 64.20 6.08 14.76 0.00 0.17 0.31 34 F C T 144.75 2.40 10.51 14.05 97.49 45.85 -88.36 7.16 76.82 0.60 22.57 8.57 6.28 61.54 8.49 14.31 0.01 0.28 0.52 35 A C T 61.98 4.44 10.43 16.75 102.59 108.89 -64.69 -12.03 62.33 0.57 37.09 4.80 4.67 51.45 27.67 10.55 0.08 0.23 0.54 36 G C T 45.95 3.00 12.72 16.80 95.91 26.40 65.44 -16.80 54.26 0.21 45.53 3.67 4.22 45.51 37.82 8.43 0.08 0.09 0.18 37 V H H 85.69 2.75 12.20 16.11 93.64 67.41 -66.22 -40.12 16.57 0.34 83.09 6.41 2.89 7.97 73.42 8.89 0.08 0.18 0.16 38 V H H 91.38 2.01 13.59 15.86 92.98 49.71 -65.83 -41.25 8.32 0.38 91.30 2.83 1.55 4.75 84.50 5.87 0.15 0.22 0.14 39 H H H 113.68 2.23 14.04 16.59 92.60 49.15 -66.78 -40.35 8.05 0.43 91.51 2.38 1.45 4.97 85.03 5.56 0.20 0.24 0.18 40 A H H 54.28 3.26 13.24 17.79 92.50 51.15 -65.55 -40.09 8.99 0.34 90.67 2.01 1.50 6.04 85.35 4.56 0.21 0.17 0.17 41 A H H 58.18 2.72 13.67 17.24 92.84 50.77 -65.53 -40.69 12.02 0.34 87.64 2.18 1.83 8.51 82.07 4.76 0.30 0.15 0.19 42 I H H 100.88 1.89 14.76 16.39 93.12 46.09 -67.80 -40.77 15.89 0.37 83.74 2.23 2.14 12.02 78.65 4.27 0.30 0.17 0.22 43 F H H 114.77 2.35 14.28 16.95 93.55 47.94 -69.17 -38.58 22.77 0.53 76.70 4.87 4.10 14.98 71.71 3.60 0.21 0.23 0.31 44 N H H 75.60 3.72 13.18 18.27 93.63 50.81 -68.62 -37.99 32.51 0.56 66.92 12.66 5.04 15.86 63.38 2.47 0.04 0.24 0.31 45 T H H 70.35 2.92 14.12 17.90 92.48 52.81 -64.73 -41.13 16.92 0.22 82.85 3.99 3.03 10.47 80.44 1.78 0.07 0.09 0.13 46 F H H 121.07 1.74 15.01 16.35 92.21 50.33 -64.94 -41.37 6.28 0.10 93.62 1.51 1.10 3.82 91.83 1.62 0.05 0.04 0.04 47 R H H 123.89 2.31 14.37 17.05 92.32 50.02 -65.35 -40.69 3.89 0.08 96.03 1.05 0.58 2.38 93.94 1.94 0.04 0.04 0.03 48 R H H 122.37 2.83 13.47 17.23 92.31 49.82 -65.05 -40.43 4.14 0.06 95.80 0.88 0.54 2.76 93.49 2.23 0.04 0.03 0.03 49 T H H 76.41 2.39 13.48 16.47 92.59 48.61 -66.14 -40.00 5.01 0.04 94.95 0.84 0.60 3.52 92.83 2.16 0.03 0.02 0.02 50 K H H 131.27 1.64 14.38 15.69 92.46 50.57 -66.34 -38.16 7.51 0.03 92.45 0.65 0.59 6.10 88.49 4.11 0.04 0.02 0.02 51 N H H 100.01 2.13 13.76 16.15 94.03 45.53 -76.09 -27.28 26.40 0.04 73.56 0.68 1.01 24.96 68.58 4.70 0.04 0.02 0.03 52 Q H H 90.48 4.39 11.58 17.53 96.68 51.63 -83.01 -17.18 37.43 0.05 62.51 1.46 1.59 33.86 57.90 5.10 0.02 0.02 0.05 53 A H H 61.87 2.91 11.95 16.20 92.62 73.42 -61.84 -40.38 8.35 0.07 91.58 1.59 1.04 5.14 78.38 13.76 0.02 0.04 0.02 54 L H H 112.63 1.39 13.88 14.59 92.56 51.46 -66.41 -37.00 3.71 0.02 96.27 0.28 0.22 2.77 77.86 18.84 0.00 0.01 0.00 55 F H H 125.05 2.37 13.02 16.01 93.92 48.21 -72.27 -35.29 4.08 0.02 95.90 0.23 0.23 3.27 77.89 18.34 0.01 0.02 0.01 56 V H H 81.35 3.30 12.61 17.10 94.79 48.10 -73.67 -37.15 10.91 0.05 89.04 0.57 0.73 9.62 79.12 9.87 0.04 0.03 0.02 57 I H H 96.68 1.98 14.28 16.27 92.56 52.88 -64.84 -42.29 4.45 0.02 95.53 0.77 0.82 2.49 95.30 0.61 0.00 0.00 0.01 58 L H H 91.90 1.83 14.96 16.50 92.02 49.81 -64.29 -41.80 1.29 0.00 98.71 0.24 0.10 0.73 98.55 0.38 0.00 0.00 0.00 59 P H H 65.83 3.27 13.99 18.41 91.93 49.32 -64.38 -40.56 0.65 0.00 99.34 0.09 0.03 0.41 99.06 0.40 0.00 0.00 0.00 60 V H H 82.33 2.42 14.78 17.56 91.92 49.74 -64.70 -41.02 0.22 0.00 99.78 0.02 0.01 0.14 99.66 0.17 0.00 0.00 0.00 61 S H H 62.62 1.72 15.24 16.47 91.80 50.10 -64.30 -41.72 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 62 F H H 119.28 1.80 15.17 16.60 91.91 49.24 -64.49 -41.47 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 63 F H H 110.19 2.60 14.35 17.58 91.74 50.11 -64.28 -41.43 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 64 Y H H 128.51 2.08 14.95 17.06 91.82 50.23 -64.05 -41.60 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 65 Y H H 131.37 1.81 15.19 16.71 91.98 49.69 -64.62 -41.68 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 66 V H H 82.08 2.32 15.00 17.53 91.83 49.59 -64.17 -42.14 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 67 W H H 141.96 2.38 15.26 17.88 92.05 49.10 -65.03 -41.36 0.13 0.00 99.87 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 68 T H H 74.11 2.18 15.88 17.89 91.95 49.46 -64.81 -41.48 0.43 0.00 99.57 0.03 0.02 0.35 99.56 0.05 0.00 0.00 0.00 69 Q H H 95.64 2.18 16.16 18.13 92.03 49.48 -64.59 -41.17 0.95 0.00 99.05 0.06 0.06 0.77 99.02 0.09 0.00 0.00 0.00 70 A H H 50.72 3.25 14.85 19.14 91.90 51.12 -63.75 -41.34 0.97 0.00 99.03 0.12 0.08 0.67 99.00 0.12 0.00 0.00 0.00 71 S H H 58.86 2.46 16.30 18.85 91.84 50.17 -64.69 -41.25 0.92 0.00 99.08 0.13 0.08 0.62 99.03 0.14 0.00 0.00 0.00 72 E H H 106.18 2.29 16.73 18.87 92.07 49.98 -64.99 -41.06 0.75 0.00 99.25 0.09 0.05 0.50 99.22 0.14 0.00 0.00 0.00 73 K H H 105.27 3.52 15.88 20.21 92.04 50.49 -64.26 -40.94 0.56 0.00 99.44 0.06 0.04 0.36 99.41 0.13 0.00 0.00 0.00 74 N H H 77.03 3.49 15.47 19.87 91.97 50.31 -64.80 -40.02 0.72 0.00 99.28 0.08 0.05 0.49 99.10 0.28 0.00 0.00 0.00 75 E H H 101.68 2.22 16.13 18.31 91.84 50.92 -64.62 -40.51 0.95 0.00 99.04 0.08 0.06 0.74 98.49 0.63 0.00 0.00 0.00 76 W H H 119.35 4.34 14.25 19.98 92.72 50.37 -66.42 -38.51 1.95 0.00 98.04 0.10 0.10 1.68 96.90 1.22 0.00 0.00 0.00 77 L H H 86.03 5.37 13.13 20.04 92.59 52.11 -71.70 -26.21 13.51 0.01 86.48 0.29 0.41 13.34 84.56 1.37 0.01 0.00 0.01 78 Y C T 161.13 2.01 14.39 16.65 97.83 43.48 -95.04 -7.03 54.37 0.09 45.54 1.46 3.07 48.83 44.87 1.64 0.03 0.03 0.07 79 T C S 59.19 4.73 10.44 17.34 122.43 84.92 -92.32 156.21 93.16 1.14 5.70 16.26 72.62 3.38 5.88 0.49 0.00 0.23 1.14 80 K H H 153.15 1.37 13.26 14.85 92.26 -114.75 -60.19 -36.90 21.56 0.14 78.30 3.06 5.61 13.27 74.80 3.03 0.08 0.05 0.10 81 A H H 66.45 1.91 14.58 16.41 91.57 52.40 -64.76 -38.65 18.20 0.06 81.75 1.60 1.80 14.54 78.26 3.67 0.05 0.03 0.04 82 G H H 18.36 7.42 11.26 21.09 92.14 50.38 -64.39 -40.18 11.52 0.06 88.42 2.03 1.27 7.98 84.62 4.02 0.03 0.03 0.03 83 R H H 126.88 3.23 14.44 18.74 91.81 52.32 -64.46 -40.96 2.64 0.02 97.34 1.01 0.39 1.19 96.13 1.27 0.00 0.01 0.01 84 H H H 119.08 1.36 16.35 16.53 91.93 50.16 -64.92 -41.25 1.52 0.02 98.46 0.50 0.17 0.76 97.87 0.68 0.00 0.01 0.00 85 E H H 97.46 2.54 15.04 17.96 91.87 49.96 -64.72 -41.25 1.35 0.02 98.63 0.40 0.14 0.70 98.15 0.59 0.00 0.01 0.00 86 L H H 73.66 4.25 12.91 18.76 91.93 50.10 -64.63 -41.06 1.41 0.01 98.58 0.39 0.15 0.74 98.16 0.55 0.00 0.01 0.00 87 A H H 58.14 2.00 13.30 15.79 91.46 51.14 -64.03 -40.31 2.41 0.02 97.58 0.58 0.23 1.40 97.11 0.65 0.00 0.01 0.00 88 K H H 130.45 1.25 13.08 13.91 92.33 50.46 -66.23 -38.20 5.07 0.03 94.90 1.12 0.53 3.15 94.19 0.96 0.01 0.01 0.01 89 A H H 66.12 2.40 10.51 14.09 92.98 51.56 -67.75 -34.74 11.12 0.05 88.82 2.26 1.26 7.10 87.96 1.36 0.01 0.02 0.03 90 L H H 121.88 1.57 9.45 11.94 95.30 53.33 -74.03 -24.16 31.13 0.22 68.65 7.62 3.54 19.92 66.91 1.77 0.02 0.08 0.14 91 A C H 87.06 1.30 8.47 10.67 98.53 61.92 -78.94 -9.42 60.66 0.29 39.05 30.54 1.47 25.51 40.83 1.35 0.00 0.11 0.18 92 E C C 141.04 2.06 10.08 13.46 102.82 77.90 -79.32 17.81 99.92 0.02 0.06 99.74 0.09 0.12 0.04 0.00 0.00 0.01 0.00