# 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 114.11 6.60 12.43 20.22 114.02 -160.59 -92.05 130.79 99.88 0.10 0.02 99.82 0.08 0.04 0.01 0.00 0.00 0.05 0.01 1 A C C 77.10 4.51 10.18 16.35 114.06 -145.48 -88.60 135.75 93.63 4.25 2.11 85.28 1.66 7.06 0.84 0.84 0.00 2.76 1.56 2 G C C 49.69 4.53 9.83 16.07 119.70 -147.27 -101.46 159.86 92.53 5.05 2.42 56.93 23.74 11.99 0.78 1.64 0.00 2.90 2.02 3 R C C 152.27 4.26 10.53 16.64 118.04 -109.01 -94.66 138.69 93.34 3.81 2.85 67.51 23.44 2.65 1.52 1.22 0.00 1.96 1.69 4 P C C 88.11 4.84 11.58 18.15 112.99 -106.52 -69.08 147.22 89.10 2.31 8.59 76.99 7.22 5.36 4.59 3.56 0.00 1.43 0.85 5 A C C 73.55 5.12 11.36 18.14 109.63 -107.90 -76.19 138.71 82.98 3.60 13.42 64.77 10.57 7.69 7.49 5.77 0.00 2.15 1.55 6 V C C 84.95 7.79 9.94 18.84 112.06 -144.92 -93.34 122.02 76.01 6.48 17.50 55.36 12.54 7.65 11.61 6.25 0.02 3.75 2.82 7 S C C 69.79 4.31 12.08 17.78 111.22 -159.35 -93.98 128.59 75.49 4.30 20.20 53.05 12.28 9.69 13.93 6.82 0.01 2.53 1.68 8 A C C 75.83 4.06 11.47 17.10 102.01 -137.02 -78.24 -13.15 72.74 2.24 25.03 31.81 19.19 22.44 16.46 7.92 0.03 1.07 1.07 9 S C C 70.14 3.65 12.61 17.33 103.54 56.85 -83.87 -6.80 74.31 1.47 24.23 37.23 16.52 21.07 16.93 6.75 0.01 0.63 0.86 10 S C H 56.27 6.37 10.83 18.66 102.25 68.25 -76.26 -18.74 54.22 0.79 44.99 29.56 16.02 9.49 40.35 3.86 0.01 0.27 0.43 11 R H H 161.36 2.02 13.59 16.30 94.39 67.87 -66.24 -36.45 17.95 0.34 81.71 6.72 4.05 8.50 75.58 4.77 0.05 0.17 0.16 12 W H H 152.67 2.49 14.52 17.49 92.93 52.18 -66.65 -39.95 10.33 0.31 89.36 3.93 1.71 5.28 83.66 5.10 0.04 0.20 0.09 13 L H H 61.29 8.39 13.33 23.10 93.12 50.27 -66.41 -40.38 5.57 0.14 94.29 2.51 0.86 2.55 90.31 3.62 0.01 0.09 0.04 14 E H H 87.35 6.28 15.27 22.86 92.29 52.18 -64.75 -40.78 3.56 0.05 96.38 1.25 0.49 1.89 94.97 1.35 0.01 0.03 0.01 15 G H H 33.99 2.91 17.20 20.43 92.20 50.96 -63.72 -41.38 4.93 0.05 95.03 1.13 0.54 3.22 94.04 1.01 0.01 0.02 0.02 16 I H H 78.90 4.71 17.22 22.70 92.47 49.45 -65.81 -41.49 3.26 0.03 96.72 0.82 0.36 1.97 96.14 0.68 0.00 0.01 0.01 17 R H H 86.35 10.97 15.71 27.17 92.02 52.10 -63.86 -41.07 1.06 0.01 98.93 0.27 0.09 0.56 98.84 0.24 0.00 0.00 0.00 18 K H H 106.82 5.74 17.51 24.21 91.94 51.68 -63.76 -40.98 0.52 0.00 99.48 0.09 0.04 0.31 99.39 0.17 0.00 0.00 0.00 19 W H H 143.12 2.54 19.10 21.17 92.42 49.99 -65.11 -41.77 0.34 0.00 99.66 0.05 0.02 0.21 99.53 0.17 0.00 0.00 0.00 20 Y H H 86.49 8.31 17.18 26.49 92.41 49.03 -64.94 -41.84 0.48 0.00 99.52 0.06 0.03 0.33 99.33 0.24 0.00 0.00 0.00 21 Y H H 60.69 13.33 14.81 28.65 92.64 49.23 -64.70 -41.50 1.16 0.01 98.83 0.12 0.08 0.87 98.46 0.45 0.00 0.00 0.00 22 N H H 89.68 5.17 17.32 23.41 92.38 49.98 -65.69 -38.77 4.10 0.01 95.88 0.28 0.24 3.49 95.26 0.70 0.02 0.00 0.00 23 A H H 67.70 3.86 17.57 22.00 92.09 53.40 -68.87 -29.14 14.13 0.03 85.84 0.54 0.79 12.95 84.68 0.99 0.03 0.01 0.02 24 A C T 38.24 10.86 14.37 26.23 94.79 54.99 -82.79 -6.80 71.41 0.24 28.34 1.71 6.20 61.68 28.37 1.69 0.05 0.08 0.23 25 G C T 31.04 6.57 18.99 26.81 97.31 -113.53 79.90 9.03 89.71 0.26 10.03 9.26 7.56 72.76 7.80 2.30 0.00 0.10 0.21 26 F H H 33.37 18.68 13.25 31.91 94.34 126.62 -67.13 -35.92 30.23 0.40 69.36 7.03 4.66 17.21 42.29 28.28 0.10 0.18 0.26 27 N H G 74.20 11.99 16.32 28.31 92.49 59.66 -65.38 -29.06 19.10 0.37 80.54 2.30 1.99 12.82 39.42 43.00 0.10 0.20 0.15 28 K H G 144.61 2.55 20.14 22.86 92.08 57.18 -70.84 -24.24 20.58 0.29 79.13 1.61 2.03 14.65 39.30 41.91 0.17 0.16 0.16 29 L H H 58.77 12.52 16.21 29.10 95.35 53.19 -89.30 -4.30 40.74 0.51 58.75 2.28 5.83 30.23 30.88 29.82 0.27 0.24 0.43 30 G C T 28.42 8.52 20.90 30.42 101.57 -109.62 85.79 15.20 98.08 0.44 1.48 24.63 7.38 66.38 0.65 0.55 0.00 0.25 0.17 31 L C C 25.38 20.89 13.28 34.05 113.00 150.61 -84.12 128.61 94.23 2.91 2.86 89.14 3.42 1.63 1.61 0.97 0.00 1.30 1.93 32 M C C 67.71 9.88 20.03 30.22 122.76 -156.52 -104.42 152.12 86.39 3.75 9.85 76.68 5.61 3.71 5.02 4.34 0.00 1.40 3.23 33 R H G 121.27 11.56 16.18 27.74 93.28 -111.11 -61.61 -32.45 26.78 1.02 72.19 6.47 4.91 16.54 13.63 57.44 0.02 0.68 0.31 34 D H G 96.01 5.24 19.07 24.99 92.00 62.76 -74.26 -12.56 26.78 0.47 72.76 3.80 3.86 18.80 12.23 60.85 0.01 0.29 0.16 35 D H G 44.87 14.76 14.95 29.89 96.74 63.35 -91.62 1.26 30.00 0.85 69.15 10.51 6.15 14.07 10.79 57.66 0.01 0.50 0.30 36 T C C 38.59 16.04 14.37 30.27 121.75 88.90 -103.58 138.64 74.15 8.18 17.68 46.38 18.83 8.30 7.92 9.31 0.05 3.02 6.21 37 I C C 81.02 10.66 16.39 27.43 109.11 -144.04 -93.66 109.87 89.42 5.16 5.42 62.27 18.13 8.76 2.29 3.08 0.00 2.72 2.74 38 H C C 109.33 6.77 16.86 24.55 113.66 -129.45 -97.91 122.94 96.36 1.58 2.06 83.97 7.00 5.51 0.81 1.06 0.00 0.90 0.76 39 E C C 92.28 12.63 11.54 24.29 115.29 -156.82 -101.32 123.84 98.48 0.81 0.71 90.05 7.31 1.13 0.39 0.23 0.00 0.33 0.55 40 N C C 64.59 5.32 14.23 21.10 130.38 165.97 -126.65 170.92 98.84 0.25 0.92 89.17 8.93 0.69 0.79 0.13 0.00 0.07 0.22 41 D H H 121.00 1.20 14.90 15.89 91.77 -94.92 -60.79 -35.03 6.62 0.01 93.37 1.11 1.34 3.90 93.00 0.62 0.00 0.00 0.01 42 D H H 84.77 4.25 15.88 21.10 92.44 51.91 -66.35 -38.85 3.88 0.01 96.11 0.54 0.41 2.72 95.73 0.58 0.00 0.00 0.00 43 V H H 16.36 18.48 11.79 30.26 92.71 48.62 -66.94 -41.46 1.03 0.00 98.97 0.26 0.11 0.55 98.67 0.41 0.00 0.00 0.00 44 K H H 93.63 7.41 17.34 25.76 91.41 52.87 -62.15 -41.84 0.35 0.00 99.65 0.09 0.04 0.17 99.52 0.19 0.00 0.00 0.00 45 E H H 96.45 2.13 20.49 21.37 91.71 50.37 -64.09 -41.63 0.40 0.00 99.60 0.06 0.03 0.25 99.39 0.27 0.00 0.00 0.00 46 A H H 18.76 12.22 16.13 29.96 92.18 50.82 -64.65 -41.23 0.78 0.00 99.22 0.06 0.04 0.58 98.78 0.54 0.00 0.00 0.00 47 I H H 33.49 17.24 14.18 31.26 92.06 51.23 -65.64 -35.44 2.41 0.00 97.58 0.11 0.11 2.15 94.74 2.90 0.00 0.00 0.00 48 R H H 162.91 2.39 18.45 21.39 91.09 58.87 -67.21 -25.38 27.31 0.02 72.67 0.33 0.50 28.13 67.80 3.22 0.01 0.01 0.02 49 R C T 152.35 3.06 16.91 20.40 93.67 56.31 -84.77 -9.87 62.89 0.03 37.08 0.86 1.79 60.83 33.44 3.04 0.00 0.01 0.03 50 L C S 28.65 18.74 7.02 24.30 121.76 97.75 -82.95 148.40 99.74 0.11 0.15 6.25 93.28 0.26 0.09 0.01 0.00 0.02 0.08 51 P C C 70.65 3.03 16.39 19.88 114.46 -102.22 -62.90 148.25 99.80 0.06 0.14 99.52 0.26 0.08 0.09 0.01 0.00 0.01 0.03 52 E H H 142.18 2.76 12.63 17.12 91.77 -110.25 -57.69 -38.12 7.57 0.01 92.42 0.54 0.68 6.05 85.89 6.83 0.01 0.00 0.01 53 N H H 112.28 1.76 16.02 17.75 91.90 54.54 -65.09 -37.45 7.31 0.01 92.68 0.32 0.40 6.38 85.41 7.47 0.01 0.00 0.00 54 L H H 44.66 11.55 14.20 26.79 92.88 48.23 -67.65 -39.37 3.96 0.01 96.03 0.42 0.29 2.94 89.01 7.32 0.00 0.01 0.00 55 Y H H 69.55 11.47 15.34 27.72 91.76 52.42 -62.67 -42.94 0.70 0.00 99.29 0.15 0.07 0.37 99.03 0.39 0.00 0.00 0.00 56 D H H 80.18 3.10 20.95 23.66 91.60 49.64 -64.49 -41.12 0.39 0.00 99.60 0.05 0.02 0.25 99.55 0.14 0.00 0.00 0.00 57 D H H 52.61 8.34 19.54 28.92 91.59 50.39 -64.89 -41.16 0.22 0.00 99.78 0.02 0.01 0.14 99.73 0.10 0.00 0.00 0.00 58 R H H 47.89 15.92 18.17 33.99 91.65 50.94 -64.31 -41.35 0.20 0.00 99.80 0.02 0.01 0.14 99.76 0.08 0.00 0.00 0.00 59 V H H 58.80 8.03 21.94 30.36 91.66 50.66 -64.21 -41.84 0.26 0.00 99.74 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 60 F H H 82.49 6.07 22.56 29.16 91.57 50.54 -63.80 -42.78 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 61 R H H 50.27 15.62 20.09 35.42 91.90 50.69 -64.10 -42.38 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 62 I H H 44.86 14.10 20.70 34.73 91.58 49.91 -64.31 -41.91 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 63 K H H 105.66 4.64 24.29 28.93 91.61 50.11 -64.06 -41.68 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 64 R H H 73.05 10.63 21.82 32.76 91.82 49.68 -64.73 -41.79 0.43 0.00 99.57 0.03 0.02 0.30 99.56 0.09 0.00 0.00 0.00 65 A H H 11.96 18.25 17.55 36.16 91.75 51.03 -63.90 -41.95 1.26 0.00 98.74 0.11 0.07 0.87 98.59 0.35 0.00 0.00 0.00 66 L H H 70.83 7.10 21.63 29.08 91.60 50.68 -64.59 -40.50 5.37 0.01 94.62 0.39 0.32 4.33 93.93 1.00 0.01 0.00 0.01 67 D H H 69.12 4.07 21.06 25.24 92.11 50.60 -66.76 -37.70 13.75 0.06 86.19 1.78 1.07 10.52 84.85 1.71 0.02 0.02 0.03 68 L H H 23.57 13.96 13.55 28.86 92.16 56.24 -64.76 -39.75 14.54 0.29 85.17 5.94 2.41 7.05 78.10 6.15 0.05 0.14 0.15 69 S H H 49.47 9.58 14.65 25.10 92.52 54.04 -65.39 -38.24 16.50 0.22 83.27 4.48 1.95 10.04 74.66 8.60 0.05 0.12 0.10 70 M H H 129.35 2.48 15.47 18.22 92.27 51.44 -69.30 -31.32 24.66 0.23 75.11 3.16 2.97 18.34 66.88 8.28 0.12 0.11 0.14 71 R C T 142.05 2.78 14.49 17.87 96.00 44.03 -91.09 -1.59 58.54 0.33 41.13 5.15 7.93 44.79 36.46 5.20 0.06 0.13 0.27 72 Q C T 125.97 5.20 12.87 20.09 94.80 -122.65 58.55 38.19 93.30 0.33 6.36 21.49 9.48 62.78 4.36 1.56 0.00 0.15 0.19 73 Q C C 93.29 5.72 15.47 22.85 121.50 143.81 -110.73 141.39 96.41 2.09 1.50 84.57 9.32 2.56 0.60 0.76 0.00 1.07 1.13 74 I C C 94.53 8.76 16.56 26.35 114.12 -132.22 -92.07 130.98 94.43 5.08 0.48 88.76 4.70 0.65 0.24 0.21 0.00 1.80 3.63 75 L C C 23.10 19.98 9.79 29.25 115.76 -124.88 -81.89 136.93 98.97 1.01 0.02 94.14 4.98 0.04 0.01 0.01 0.00 0.45 0.38 76 P C C 62.63 3.99 18.19 22.73 113.96 -105.44 -64.59 147.79 99.65 0.30 0.05 99.33 0.39 0.05 0.02 0.01 0.00 0.10 0.11 77 K H G 134.12 6.72 11.62 20.20 91.04 -114.84 -57.66 -35.55 10.18 0.05 89.77 0.95 1.03 7.48 3.67 86.83 0.00 0.03 0.01 78 E H G 151.89 1.18 15.42 16.18 90.62 61.51 -68.83 -18.35 9.92 0.04 90.04 0.49 0.71 8.19 3.74 86.83 0.00 0.02 0.01 79 Q H G 73.42 10.14 12.93 24.19 95.93 54.15 -94.56 -4.26 10.07 0.10 89.83 1.34 1.28 6.80 4.09 86.40 0.00 0.07 0.02 80 W C C 65.02 16.53 11.44 27.67 116.67 97.08 -84.27 138.08 85.26 3.28 11.46 63.74 17.68 3.25 7.73 3.49 0.00 0.97 3.15 81 T C C 43.67 10.92 14.96 27.15 119.80 -154.98 -101.31 144.30 89.37 4.26 6.37 78.33 7.53 3.21 4.62 1.86 0.00 1.98 2.46 82 K C C 109.88 5.54 18.67 24.75 113.73 -118.66 -80.71 147.22 79.06 5.33 15.61 58.81 13.64 6.15 10.69 5.17 0.01 2.79 2.74 83 Y C C 93.75 13.33 12.70 25.98 95.87 -112.42 -64.65 -32.55 56.44 2.09 41.46 30.65 11.15 14.66 19.26 22.20 0.02 1.09 0.97 84 E C G 111.21 4.96 14.69 20.81 94.26 61.58 -72.56 -22.17 51.75 1.42 46.83 26.15 9.94 15.37 20.74 26.35 0.01 0.71 0.72 85 E C G 103.88 5.49 14.28 21.04 96.04 62.21 -75.19 -23.77 52.38 1.21 46.41 23.97 11.31 16.74 20.86 25.87 0.02 0.56 0.68 86 D C C 59.76 11.36 11.82 23.73 101.26 62.84 -88.54 17.48 68.18 0.86 30.96 40.94 12.21 14.80 16.78 14.26 0.00 0.36 0.64 87 K C C 103.04 8.57 13.93 23.40 104.05 123.18 -87.22 28.86 66.45 0.88 32.68 40.92 13.43 11.66 18.56 14.45 0.00 0.36 0.62 88 S C G 68.33 4.88 15.93 21.71 95.69 58.22 -71.89 -18.10 50.77 0.75 48.48 25.03 7.36 17.59 14.41 34.83 0.00 0.39 0.39 89 Y H G 93.95 9.37 16.00 26.22 94.70 74.94 -72.20 -28.25 48.61 0.66 50.73 10.77 7.65 29.23 14.94 36.64 0.03 0.33 0.42 90 L H G 25.19 18.93 12.91 31.54 95.73 52.58 -85.75 -18.66 35.58 0.38 64.04 9.00 4.95 20.47 32.27 32.86 0.04 0.18 0.23 91 E H H 84.72 8.11 16.76 26.17 92.44 79.40 -60.01 -43.76 3.89 0.01 96.10 1.38 0.61 1.64 95.07 1.28 0.00 0.00 0.00 92 P H H 67.94 3.11 19.86 22.84 91.41 50.09 -64.18 -38.97 2.28 0.01 97.71 0.46 0.18 1.44 96.59 1.32 0.00 0.00 0.00 93 Y H H 55.99 12.72 17.46 30.86 91.93 50.75 -65.35 -41.46 0.83 0.00 99.17 0.15 0.06 0.51 98.29 0.98 0.00 0.00 0.00 94 L H H 35.53 15.05 16.65 32.11 92.04 51.06 -64.01 -41.52 0.27 0.00 99.73 0.06 0.02 0.13 99.65 0.14 0.00 0.00 0.00 95 K H H 116.51 2.89 21.37 23.98 91.46 50.40 -64.07 -40.83 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 96 E H H 82.47 4.69 20.25 25.41 91.72 50.25 -64.63 -41.48 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 97 V H H 21.87 14.20 16.79 32.23 92.11 49.73 -64.25 -43.14 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 98 I H H 57.17 7.65 18.59 27.50 91.53 49.63 -63.34 -42.32 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 99 R H H 124.48 2.26 20.35 21.69 91.66 49.82 -63.97 -42.04 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 100 E H H 72.25 6.40 17.40 25.05 91.96 49.99 -65.05 -40.99 0.17 0.00 99.83 0.01 0.01 0.11 99.86 0.02 0.00 0.00 0.00 101 R H H 92.66 7.81 16.41 25.22 91.90 50.42 -64.57 -40.67 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 102 K H H 112.83 2.38 17.96 20.08 91.76 50.40 -63.99 -40.77 0.28 0.00 99.72 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 103 E H H 94.97 2.59 16.42 19.24 91.89 50.00 -64.80 -41.18 0.42 0.00 99.58 0.05 0.02 0.25 99.62 0.06 0.00 0.00 0.00 104 R H H 108.36 4.69 14.82 20.49 92.05 50.00 -65.41 -41.01 0.49 0.00 99.51 0.06 0.03 0.29 99.52 0.10 0.00 0.00 0.00 105 E H H 95.59 2.65 14.49 17.77 91.84 50.41 -64.13 -40.89 0.81 0.00 99.19 0.10 0.05 0.51 99.12 0.23 0.00 0.00 0.00 106 E H H 106.69 1.64 13.90 15.39 91.92 50.49 -64.68 -40.64 2.64 0.00 97.36 0.27 0.15 1.90 96.96 0.71 0.00 0.00 0.00 107 W H H 137.97 2.88 11.26 15.45 92.48 50.27 -67.55 -37.35 6.63 0.01 93.36 0.67 0.45 4.99 92.27 1.60 0.00 0.00 0.00 108 A H H 73.83 2.66 9.94 13.88 92.65 54.50 -69.98 -27.72 23.41 0.06 76.54 2.41 1.86 18.54 75.73 1.39 0.01 0.02 0.04 109 K C H 155.05 1.19 9.98 11.62 96.01 56.49 -80.28 -10.13 60.24 0.15 39.61 20.23 1.71 35.87 40.59 1.45 0.00 0.05 0.11 110 K C C 147.80 2.51 10.85 14.96 102.89 103.59 -76.53 60.63 99.93 0.02 0.05 99.68 0.13 0.13 0.04 0.00 0.00 0.01 0.00