# 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 125.25 4.41 11.36 17.35 118.31 -164.06 -97.56 135.44 99.77 0.20 0.03 99.72 0.10 0.04 0.01 0.00 0.00 0.10 0.03 1 A C C 74.74 4.22 8.55 14.62 116.33 -144.39 -92.62 141.73 88.53 6.85 4.62 85.26 1.19 2.79 2.78 1.17 0.00 4.15 2.65 2 K C C 149.69 2.30 9.23 13.38 115.79 -137.39 -94.73 137.52 84.80 7.73 7.46 66.32 12.04 6.00 4.88 2.83 0.00 4.81 3.12 3 S C C 65.76 5.06 7.94 14.81 116.45 -119.59 -86.00 146.34 83.63 4.36 12.01 70.12 8.13 5.02 8.62 3.64 0.00 2.39 2.08 4 K C T 159.81 1.72 11.32 13.91 96.43 -128.32 -71.36 -22.00 63.44 1.30 35.26 21.01 15.39 27.81 26.66 7.77 0.05 0.62 0.69 5 N C H 97.91 4.18 10.38 16.16 102.82 57.78 -93.11 20.11 61.76 1.07 37.17 21.13 14.07 27.84 28.18 7.61 0.05 0.47 0.65 6 H H H 106.61 6.03 10.29 17.82 106.32 118.21 -84.79 70.41 48.53 1.43 50.04 30.68 10.33 8.94 41.94 6.72 0.02 0.61 0.75 7 T H H 76.25 4.62 12.02 18.05 108.22 134.75 -87.60 67.82 40.80 1.16 58.05 24.73 8.20 9.55 51.38 5.07 0.02 0.55 0.50 8 N H H 93.04 4.22 12.99 18.32 100.35 56.55 -79.96 -16.48 35.03 0.90 64.07 19.53 8.06 9.17 57.68 4.74 0.02 0.42 0.38 9 H H H 100.63 5.68 12.25 19.34 97.75 93.59 -72.31 -34.13 27.49 0.71 71.80 14.09 6.41 8.88 65.37 4.58 0.03 0.34 0.31 10 N H H 86.56 4.40 13.48 18.99 96.39 54.38 -73.01 -32.70 26.58 0.66 72.76 14.36 5.08 8.86 66.66 4.41 0.02 0.32 0.29 11 Q H H 105.19 3.91 13.90 18.75 95.41 56.05 -71.18 -32.07 23.59 0.54 75.87 10.84 5.06 9.10 70.61 3.85 0.03 0.26 0.24 12 N H H 74.90 6.24 12.52 20.10 98.64 55.51 -75.71 -29.03 27.66 0.58 71.76 14.99 5.28 8.52 67.90 2.79 0.02 0.26 0.25 13 K H H 116.60 3.06 14.23 18.10 94.91 66.06 -67.21 -38.20 16.02 0.36 83.62 7.12 3.83 6.14 80.29 2.26 0.04 0.17 0.14 14 K H H 107.91 2.92 14.60 18.13 93.45 53.39 -66.49 -40.13 9.85 0.29 89.86 4.08 1.99 4.72 86.30 2.58 0.06 0.16 0.10 15 A H H 37.84 7.06 11.09 20.13 92.96 52.54 -66.18 -40.39 7.49 0.27 92.24 3.21 1.24 3.67 87.79 3.78 0.05 0.17 0.09 16 H H H 116.47 3.67 12.31 17.16 94.37 48.87 -69.85 -37.13 8.82 0.40 90.78 3.16 1.42 4.99 85.09 4.89 0.08 0.25 0.13 17 R H H 168.34 1.33 13.12 14.27 95.62 49.41 -75.01 -32.40 15.15 0.33 84.52 2.69 2.25 10.86 79.61 4.13 0.13 0.16 0.16 18 N H H 104.02 2.69 11.66 15.23 99.38 35.15 -97.62 -0.19 40.60 0.26 59.15 3.57 5.56 31.33 57.07 2.13 0.08 0.09 0.18 19 G C T 52.97 2.44 12.02 15.71 96.56 -111.22 78.68 11.32 97.12 0.66 2.22 31.73 23.30 42.38 0.85 1.14 0.00 0.33 0.27 20 I C C 86.80 6.53 8.21 16.52 116.93 138.67 -92.45 136.34 93.42 4.48 2.10 67.97 20.99 4.06 0.85 1.18 0.00 1.89 3.07 21 K C C 151.07 1.70 12.86 15.43 116.82 -138.21 -91.46 140.77 96.19 2.60 1.20 77.78 16.14 2.08 0.51 0.64 0.00 1.13 1.71 22 R C C 144.64 6.07 9.53 17.32 114.89 -109.34 -76.31 138.38 99.25 0.51 0.25 84.25 14.63 0.42 0.11 0.10 0.00 0.21 0.26 23 P C C 70.23 6.20 8.61 16.78 113.49 -107.48 -65.61 147.95 95.14 0.60 4.26 88.19 3.88 3.37 1.27 2.63 0.00 0.25 0.40 24 Q C C 147.88 1.36 9.99 12.06 97.94 -124.77 -70.57 -24.43 76.56 1.03 22.41 42.29 19.40 14.32 5.33 17.36 0.00 0.40 0.90 25 K C G 157.39 1.22 9.72 11.54 99.56 60.76 -83.94 -15.45 66.93 1.05 32.02 21.61 22.47 23.62 6.91 24.13 0.01 0.43 0.82 26 H C C 131.34 3.42 8.86 13.86 102.27 48.05 -88.65 19.50 66.97 1.21 31.81 35.54 14.67 16.71 8.04 23.68 0.00 0.55 0.80 27 R C C 140.93 4.81 9.32 15.59 105.39 87.55 -85.31 49.17 73.69 1.71 24.60 48.34 13.88 11.03 10.36 14.43 0.00 0.72 1.25 28 Y C C 128.94 5.66 9.07 16.14 113.21 72.96 -95.95 118.91 74.38 1.57 24.06 48.92 16.63 8.74 11.86 12.02 0.00 0.62 1.21 29 D C G 105.38 2.39 12.31 15.77 99.92 -143.68 -77.03 -19.82 55.50 1.03 43.47 27.17 10.63 17.59 12.21 31.34 0.00 0.51 0.55 30 S C G 66.73 4.33 11.30 17.05 105.90 57.02 -80.61 47.54 54.08 1.08 44.84 24.40 9.81 19.96 11.32 33.40 0.01 0.54 0.57 31 L C G 76.48 9.82 8.60 19.02 97.52 68.99 -89.01 -0.32 57.38 1.01 41.61 33.59 8.36 14.53 8.54 33.93 0.00 0.50 0.56 32 K C T 145.71 2.61 11.04 15.43 101.80 104.65 -66.99 25.14 83.19 0.54 16.27 10.66 9.23 63.12 6.24 9.98 0.00 0.25 0.51 33 Y C T 195.89 0.79 12.63 12.61 96.48 31.33 -83.89 8.14 88.46 0.40 11.14 10.41 12.65 65.51 3.12 7.83 0.00 0.22 0.27 34 R C C 96.35 8.96 7.38 17.51 120.43 105.44 -87.09 147.08 95.40 3.14 1.46 48.07 45.64 1.13 0.89 0.40 0.00 0.64 3.23 35 D C C 80.18 3.22 11.92 16.44 113.43 -105.48 -71.66 143.50 99.44 0.37 0.19 98.45 1.00 0.08 0.13 0.02 0.00 0.10 0.22 36 A H H 75.85 2.65 12.22 16.14 92.00 -121.83 -59.31 -36.05 2.25 0.00 97.75 0.27 0.22 1.53 97.49 0.49 0.00 0.00 0.00 37 K H H 128.09 2.42 14.37 17.17 91.74 53.61 -65.12 -40.36 1.19 0.00 98.80 0.11 0.09 0.91 98.37 0.52 0.00 0.00 0.00 38 F H H 86.91 5.94 13.47 20.77 91.97 49.11 -65.87 -40.94 0.35 0.00 99.65 0.06 0.03 0.21 99.26 0.43 0.00 0.00 0.00 39 R H H 111.28 4.38 15.30 20.81 91.94 51.19 -64.13 -41.89 0.15 0.00 99.85 0.02 0.01 0.09 99.77 0.11 0.00 0.00 0.00 40 R H H 121.79 2.94 17.53 20.59 91.67 49.37 -63.88 -41.79 0.25 0.00 99.75 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 41 N H H 64.48 6.61 16.35 24.04 91.88 49.45 -64.62 -40.85 0.53 0.00 99.47 0.05 0.03 0.37 99.43 0.11 0.00 0.00 0.00 42 Q H H 76.54 6.47 16.94 24.41 92.01 51.21 -64.20 -40.81 0.53 0.00 99.47 0.06 0.03 0.36 99.24 0.31 0.00 0.00 0.00 43 K H H 102.32 3.22 18.91 22.02 91.88 50.40 -64.40 -41.82 0.94 0.00 99.05 0.10 0.06 0.68 98.58 0.58 0.00 0.00 0.00 44 F H H 80.46 5.39 16.55 23.31 92.07 49.78 -64.66 -41.33 1.89 0.01 98.10 0.25 0.15 1.29 97.31 0.99 0.00 0.00 0.00 45 A H H 37.77 9.17 13.62 24.18 92.15 51.86 -64.50 -39.42 4.87 0.02 95.12 0.65 0.37 3.46 93.81 1.70 0.01 0.01 0.00 46 N H H 104.54 3.32 16.41 20.45 92.16 52.46 -68.30 -31.11 17.14 0.04 82.81 1.06 1.10 14.73 81.18 1.86 0.02 0.02 0.03 47 R C H 155.13 2.18 16.17 18.11 95.30 50.17 -85.97 -8.48 52.75 0.15 47.10 2.24 4.45 44.28 47.09 1.74 0.03 0.05 0.12 48 G C T 36.78 8.57 12.20 21.79 104.31 -117.26 77.10 24.61 90.70 0.98 8.33 23.39 15.23 52.00 7.22 1.28 0.01 0.37 0.51 49 T C C 62.48 4.24 15.23 20.50 122.37 136.02 -91.36 162.32 82.74 1.86 15.40 72.23 7.55 1.60 16.23 0.66 0.00 0.52 1.21 50 V H H 93.73 5.04 13.81 20.34 92.91 -105.20 -61.49 -37.19 3.39 0.02 96.59 1.21 0.65 1.34 96.43 0.36 0.00 0.00 0.01 51 E H H 121.23 1.62 17.38 18.10 92.03 52.82 -64.59 -41.25 1.19 0.00 98.80 0.32 0.13 0.62 98.62 0.30 0.00 0.00 0.00 52 A H H 30.42 5.82 13.96 22.24 91.52 50.16 -63.84 -41.31 0.58 0.00 99.41 0.18 0.05 0.28 99.23 0.26 0.00 0.00 0.00 53 I H H 59.29 7.88 13.73 23.32 92.01 50.31 -64.26 -41.77 0.32 0.00 99.68 0.09 0.02 0.15 99.65 0.09 0.00 0.00 0.00 54 R H H 132.10 2.20 16.80 18.93 91.64 50.22 -63.92 -41.67 0.30 0.00 99.70 0.06 0.02 0.16 99.71 0.05 0.00 0.00 0.00 55 Q H H 106.00 1.71 16.35 17.42 91.73 49.45 -64.76 -41.13 0.41 0.00 99.59 0.06 0.02 0.24 99.62 0.06 0.00 0.00 0.00 56 A H H 47.86 5.25 12.46 19.50 92.25 50.42 -65.19 -40.40 0.92 0.00 99.08 0.13 0.05 0.57 99.12 0.13 0.00 0.00 0.00 57 K H H 126.33 2.92 12.71 16.86 92.16 50.77 -65.15 -38.35 3.19 0.00 96.81 0.41 0.21 2.15 96.88 0.34 0.00 0.00 0.00 58 A H H 84.79 1.20 12.10 13.36 92.37 52.40 -67.26 -32.10 14.14 0.02 85.83 1.23 0.74 11.14 86.24 0.62 0.01 0.01 0.01 59 S H H 87.53 1.30 10.84 12.57 95.70 52.61 -79.47 -13.30 44.32 0.09 55.59 9.94 1.13 30.06 57.96 0.83 0.00 0.03 0.06 60 A C C 66.73 5.61 10.00 17.11 102.05 82.68 -77.53 17.38 99.66 0.04 0.30 98.66 0.37 0.62 0.30 0.02 0.00 0.02 0.02