# 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 121.24 4.85 11.36 17.70 113.36 -164.76 -93.85 130.20 99.81 0.18 0.02 99.69 0.15 0.04 0.00 0.00 0.00 0.08 0.03 1 A C C 79.55 3.70 9.16 14.62 113.09 -133.81 -88.35 137.28 93.58 4.09 2.32 87.67 1.79 4.47 0.89 1.04 0.00 2.32 1.81 2 G C C 51.05 3.32 8.83 13.83 114.84 -103.90 -68.39 155.19 90.17 5.21 4.62 55.79 19.84 14.61 1.08 3.58 0.00 2.86 2.23 3 T C C 114.27 1.52 9.20 11.81 103.35 -72.37 -86.70 5.17 87.46 5.25 7.28 43.16 25.69 19.02 1.53 5.65 0.00 2.65 2.29 4 T C C 100.20 2.60 9.02 13.00 105.94 72.73 -90.26 29.48 88.64 3.46 7.90 30.85 28.16 30.28 1.56 5.88 0.00 1.67 1.59 5 G C C 51.70 3.44 10.48 15.45 107.01 -112.72 75.06 9.97 91.02 3.79 5.19 35.38 32.18 24.01 0.95 4.08 0.00 2.04 1.35 6 E C C 131.60 3.03 10.63 15.30 114.54 114.68 -90.98 134.20 86.44 10.40 3.16 55.43 24.25 7.01 0.98 2.24 0.00 6.30 3.79 7 R C C 115.93 6.75 9.66 18.07 118.76 -135.96 -97.90 139.21 87.40 11.96 0.64 61.93 25.37 0.77 0.39 0.30 0.00 8.59 2.64 8 P C C 70.06 4.05 13.03 18.62 113.81 -106.11 -66.52 150.13 69.65 28.98 1.36 69.04 1.65 0.32 1.25 0.23 0.00 12.25 15.25 9 F H H 138.08 3.79 11.71 17.24 92.77 -114.24 -59.31 -37.06 9.14 0.12 90.74 2.07 1.29 5.73 83.96 6.79 0.03 0.07 0.04 10 G H H 41.34 3.16 13.54 17.79 92.13 56.06 -64.55 -37.16 4.11 0.06 95.83 0.70 0.43 2.79 88.87 7.14 0.01 0.04 0.01 11 D H H 76.11 4.16 13.83 19.28 92.89 51.70 -67.73 -37.40 2.01 0.06 97.94 0.62 0.26 1.07 90.33 7.65 0.00 0.05 0.01 12 I H H 81.22 4.85 13.57 19.87 92.93 51.11 -66.35 -40.73 3.09 0.17 96.74 1.00 0.48 1.71 92.78 3.84 0.01 0.14 0.03 13 I H H 95.90 2.97 15.20 18.68 93.23 48.14 -68.34 -39.13 7.85 0.63 91.52 2.61 1.27 4.26 89.19 2.05 0.05 0.43 0.14 14 T H H 67.72 3.97 14.55 19.64 94.22 49.65 -71.72 -37.19 21.40 0.64 77.96 6.93 3.63 10.76 76.70 1.42 0.03 0.30 0.22 15 S H H 52.35 4.63 13.91 19.98 94.88 57.09 -67.12 -39.75 30.97 0.83 68.20 15.33 4.68 10.23 67.89 1.17 0.01 0.35 0.32 16 V H H 87.49 2.43 15.39 17.96 93.08 51.06 -65.84 -40.15 6.16 0.13 93.71 2.38 1.00 2.67 93.20 0.64 0.01 0.06 0.03 17 R H H 132.10 2.67 15.43 18.61 92.47 50.84 -65.12 -40.54 2.46 0.07 97.47 0.84 0.30 1.27 97.00 0.53 0.01 0.04 0.01 18 Y H H 107.83 5.00 14.36 20.75 92.36 50.16 -65.48 -40.83 1.07 0.04 98.89 0.36 0.12 0.56 98.55 0.39 0.00 0.02 0.01 19 W H H 135.48 3.32 15.28 19.47 92.16 51.00 -64.48 -41.42 0.48 0.01 99.51 0.14 0.05 0.26 99.35 0.20 0.00 0.01 0.00 20 V H H 81.00 2.49 16.05 18.69 92.17 48.95 -64.86 -42.33 0.39 0.01 99.60 0.08 0.03 0.24 99.50 0.14 0.00 0.01 0.00 21 I H H 80.95 4.23 15.31 20.64 92.42 47.67 -65.44 -41.85 0.54 0.01 99.45 0.09 0.04 0.36 99.32 0.18 0.00 0.00 0.00 22 H H H 95.63 5.44 14.45 21.26 92.61 48.65 -66.44 -39.24 1.22 0.01 98.77 0.10 0.07 0.97 98.51 0.34 0.00 0.00 0.00 23 S H H 66.19 3.00 15.75 19.23 94.38 47.46 -71.66 -36.71 6.24 0.01 93.76 0.17 0.24 5.97 92.85 0.75 0.01 0.00 0.00 24 L H H 99.46 2.90 15.88 19.09 99.08 38.48 -85.52 -34.22 34.11 0.04 65.85 0.43 1.34 32.41 64.46 1.28 0.03 0.01 0.03 25 T H H 58.64 6.67 14.22 22.25 99.73 39.70 -88.65 -27.62 29.05 0.05 70.90 1.45 1.78 25.27 69.92 1.49 0.03 0.01 0.04 26 I H H 77.45 5.95 15.18 22.44 93.14 64.82 -62.53 -43.61 3.04 0.01 96.95 0.78 0.54 1.53 96.55 0.59 0.00 0.00 0.00 27 P H H 69.00 3.78 17.08 21.65 91.84 49.85 -64.35 -40.10 1.63 0.01 98.36 0.44 0.13 0.94 97.72 0.76 0.00 0.00 0.00 28 A H H 48.23 5.40 16.50 22.78 92.21 50.69 -65.17 -40.00 0.33 0.00 99.67 0.05 0.02 0.21 98.90 0.83 0.00 0.00 0.00 29 L H H 77.74 6.14 16.57 23.81 92.33 50.35 -64.99 -41.07 0.39 0.00 99.61 0.03 0.02 0.30 99.05 0.59 0.00 0.00 0.00 30 F H H 105.60 5.07 17.61 23.13 92.43 49.28 -65.23 -41.96 1.16 0.01 98.83 0.06 0.06 1.03 98.52 0.32 0.00 0.00 0.00 31 I H H 84.28 4.11 18.44 22.99 92.00 49.05 -64.85 -42.06 0.39 0.00 99.61 0.04 0.02 0.28 99.57 0.08 0.00 0.00 0.00 32 A H H 46.54 5.28 17.77 23.99 91.78 50.63 -63.64 -41.57 0.27 0.00 99.73 0.02 0.01 0.20 99.63 0.13 0.00 0.00 0.00 33 G H H 25.37 7.20 16.26 25.01 91.79 51.18 -63.92 -41.18 0.42 0.00 99.58 0.03 0.01 0.33 99.42 0.22 0.00 0.00 0.00 34 W H H 123.24 4.91 17.57 23.11 91.82 50.74 -64.55 -41.67 0.36 0.00 99.63 0.02 0.01 0.29 99.42 0.25 0.00 0.00 0.00 35 L H H 83.33 3.85 17.45 21.86 92.00 50.55 -64.83 -41.67 0.86 0.00 99.13 0.05 0.05 0.73 98.87 0.29 0.00 0.00 0.00 36 F H H 90.86 5.33 15.76 22.33 92.33 48.78 -65.52 -41.26 3.85 0.07 96.09 0.41 0.39 3.10 95.24 0.76 0.05 0.03 0.02 37 V H H 68.91 6.86 14.46 22.49 92.61 49.91 -65.89 -40.47 8.53 0.18 91.29 0.89 0.91 6.95 89.17 1.75 0.16 0.09 0.08 38 S H H 70.64 3.77 15.20 19.66 92.94 51.27 -69.43 -30.39 18.34 0.16 81.51 1.33 1.59 15.70 79.39 1.74 0.09 0.07 0.08 39 T C T 79.32 3.39 14.77 18.79 96.47 47.41 -88.82 -8.23 69.45 0.24 30.30 2.12 6.68 58.47 30.29 2.11 0.03 0.09 0.20 40 G C T 41.54 5.80 13.51 20.89 96.32 -115.12 75.94 5.82 83.49 0.31 16.20 7.45 10.10 64.04 16.23 1.85 0.01 0.12 0.21 41 L H H 84.10 4.13 15.26 20.55 95.22 116.24 -71.80 -34.65 33.88 0.49 65.63 19.51 5.89 9.65 58.50 5.97 0.01 0.21 0.26 42 A H H 33.87 8.35 12.86 23.04 93.46 55.68 -65.75 -39.20 19.60 0.65 79.76 7.54 3.57 9.84 69.84 8.46 0.10 0.38 0.27 43 Y H H 97.67 6.29 13.12 21.04 93.51 52.86 -66.10 -39.41 10.74 0.61 88.65 3.57 2.06 5.90 77.36 10.38 0.13 0.41 0.19 44 D H H 97.59 2.43 14.11 17.26 93.50 52.50 -67.85 -37.69 9.92 0.43 89.65 2.78 1.60 5.84 78.83 10.41 0.12 0.29 0.13 45 A H H 75.11 3.07 12.37 16.51 93.99 52.09 -69.92 -32.44 16.36 0.35 83.29 2.09 2.24 12.07 74.29 8.68 0.27 0.19 0.17 46 F H H 131.17 3.56 11.37 16.15 98.27 39.87 -94.15 -2.89 35.43 0.52 64.06 3.01 5.61 27.62 57.80 5.05 0.32 0.21 0.38 47 G C T 57.35 1.81 12.92 15.35 98.48 -111.85 79.14 11.71 98.54 0.43 1.03 26.56 19.31 52.86 0.41 0.47 0.00 0.21 0.18 48 T C C 70.55 5.55 10.05 17.57 121.05 119.37 -103.92 142.39 98.64 1.28 0.08 67.60 30.89 0.34 0.03 0.05 0.00 0.50 0.61 49 P C C 87.45 3.93 12.43 17.81 113.64 -103.31 -66.51 147.59 98.51 1.35 0.13 85.52 12.35 0.51 0.04 0.08 0.00 0.47 1.03 50 R C C 121.97 6.96 9.96 18.57 114.25 -112.93 -83.46 131.14 99.17 0.63 0.20 94.24 4.53 0.35 0.06 0.11 0.00 0.22 0.49 51 P C G 88.78 5.08 10.21 17.06 96.30 -129.99 -63.97 -23.63 67.84 0.71 31.45 26.11 8.14 30.38 2.07 32.63 0.00 0.36 0.30 52 N C T 125.09 1.86 11.64 14.31 99.40 56.06 -87.51 1.52 64.85 0.77 34.38 15.03 10.04 37.54 2.68 33.96 0.00 0.41 0.33 53 E C G 124.89 3.44 10.82 15.91 110.56 93.31 -90.35 117.69 61.29 1.71 36.99 30.17 14.96 14.81 3.28 35.19 0.00 0.90 0.69 54 Y C C 138.57 5.09 9.77 16.53 114.59 97.02 -98.42 130.92 80.28 5.78 13.94 53.68 16.96 8.92 4.27 9.77 0.00 2.49 3.91 55 F C C 99.80 7.66 7.81 16.91 119.61 -144.14 -104.63 136.41 90.54 5.80 3.66 73.44 14.61 1.99 2.27 1.38 0.00 2.54 3.76 56 T C C 75.08 3.02 10.96 15.38 118.17 -144.61 -94.85 157.38 93.56 2.02 4.42 85.43 6.52 1.60 3.50 0.93 0.00 0.94 1.07 57 Q H H 136.14 2.06 9.86 13.25 94.18 -109.60 -61.91 -34.68 30.75 0.56 68.69 8.28 7.19 15.19 48.10 20.58 0.09 0.27 0.29 58 E H H 145.37 1.17 10.58 11.98 94.54 57.64 -70.14 -26.15 29.58 0.57 69.85 7.52 5.32 15.68 47.48 23.35 0.08 0.30 0.27 59 R H H 127.81 5.17 8.65 15.41 97.01 55.62 -81.85 -11.82 26.02 1.21 72.77 10.61 4.90 10.21 48.11 25.01 0.06 0.72 0.39 60 Q H H 114.31 4.38 9.34 15.38 97.07 76.41 -75.74 -15.72 44.02 1.68 54.30 22.37 9.23 13.66 40.06 13.01 0.05 0.85 0.77 61 E C C 143.24 1.64 11.50 13.81 104.27 69.22 -89.77 37.41 67.41 2.32 30.27 33.09 14.77 20.13 21.32 8.41 0.03 1.16 1.08 62 L C C 97.47 5.13 8.52 15.53 115.70 108.23 -86.71 135.51 93.93 1.58 4.50 52.72 39.45 1.77 3.90 0.79 0.00 0.73 0.63 63 P C C 88.19 3.99 10.67 16.44 112.18 -109.46 -68.60 143.84 88.74 4.88 6.38 84.32 2.75 2.10 4.74 1.42 0.00 2.84 1.83 64 I C C 122.19 3.30 9.84 14.92 108.24 -144.15 -89.29 96.74 74.69 11.90 13.41 48.69 19.56 6.57 10.08 3.76 0.04 5.75 5.55 65 I C C 102.34 4.98 8.38 15.19 114.49 -146.05 -98.90 123.38 69.22 15.79 15.00 50.09 12.75 5.85 11.91 3.89 0.06 9.39 6.07 66 T C C 91.41 3.44 10.10 15.25 109.51 -165.69 -102.28 -7.59 74.12 6.42 19.46 49.56 15.50 8.80 15.73 4.48 0.02 4.08 1.83 67 E C C 124.50 2.29 12.04 15.03 113.58 -7.33 -87.77 130.44 70.34 2.75 26.91 40.07 15.90 14.57 21.18 5.73 0.03 1.43 1.10 68 R H H 150.31 4.31 10.12 16.07 94.84 -124.33 -64.51 -32.00 42.54 0.89 56.57 12.66 10.20 20.67 44.45 10.99 0.10 0.44 0.48 69 Q H H 120.76 2.12 12.36 14.99 95.38 56.59 -74.66 -26.47 39.71 0.98 59.31 10.95 8.95 20.60 47.95 10.41 0.14 0.50 0.51 70 D H H 79.94 3.25 13.81 17.85 97.65 55.14 -74.61 -26.58 41.14 1.17 57.69 24.76 6.48 10.71 49.68 7.26 0.02 0.58 0.51 71 S H H 35.18 8.88 10.91 21.53 94.10 67.39 -64.14 -40.75 12.64 0.19 87.17 8.02 2.10 3.28 84.78 1.66 0.01 0.08 0.06 72 K H H 111.88 3.95 15.23 20.15 92.51 52.26 -65.16 -40.56 3.19 0.04 96.76 1.26 0.45 1.47 95.75 1.04 0.01 0.02 0.01 73 T H H 76.44 1.71 16.69 17.49 92.23 50.24 -65.13 -40.79 1.81 0.03 98.15 0.69 0.21 0.88 97.27 0.92 0.00 0.02 0.00 74 Q H H 78.55 4.32 14.82 20.50 92.07 51.06 -64.77 -41.06 1.09 0.02 98.88 0.39 0.12 0.53 98.38 0.57 0.00 0.01 0.00 75 I H H 64.58 6.93 12.83 21.34 92.01 50.08 -64.52 -41.14 0.83 0.01 99.16 0.27 0.08 0.41 98.82 0.41 0.00 0.01 0.00 76 Q H H 102.85 1.98 14.77 16.85 91.82 50.73 -64.32 -40.33 1.11 0.01 98.89 0.28 0.09 0.62 98.53 0.48 0.00 0.00 0.00 77 Q H H 108.40 1.50 14.09 15.22 92.22 50.59 -65.37 -39.83 2.63 0.02 97.36 0.44 0.20 1.78 96.75 0.81 0.00 0.01 0.00 78 F H H 106.36 4.06 10.97 16.57 93.06 50.46 -67.26 -38.01 6.27 0.03 93.70 0.95 0.55 4.43 92.98 1.06 0.01 0.01 0.01 79 I H H 105.94 3.26 9.74 14.46 94.38 51.45 -72.75 -28.62 19.49 0.13 80.38 3.32 2.22 13.30 80.03 1.00 0.02 0.04 0.07 80 A C H 86.40 1.33 9.42 11.45 96.79 61.92 -76.85 -15.56 53.34 0.29 46.37 21.43 1.65 27.53 48.04 1.08 0.00 0.09 0.18 81 K C C 148.43 2.24 10.15 13.87 104.12 84.97 -80.04 55.99 99.90 0.02 0.07 99.63 0.12 0.17 0.06 0.00 0.00 0.01 0.00