# 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 42.93 16.15 15.33 31.35 121.20 -158.89 -97.57 144.32 99.93 0.06 0.01 99.86 0.08 0.01 0.00 0.00 0.00 0.02 0.01 1 D C C 68.88 5.41 22.30 27.50 119.32 -128.97 -83.73 154.84 92.10 5.61 2.30 91.66 0.63 0.20 2.21 0.09 0.00 0.97 4.23 2 I H H 29.14 21.05 12.78 33.13 92.82 -115.15 -59.90 -37.92 1.90 0.01 98.10 0.32 0.22 1.17 97.99 0.29 0.00 0.00 0.00 3 Q H H 107.36 4.01 19.61 24.37 91.63 54.34 -63.70 -39.95 0.66 0.00 99.34 0.08 0.05 0.44 99.19 0.24 0.00 0.00 0.00 4 R H H 109.52 4.67 20.89 25.78 91.89 49.53 -65.85 -40.30 0.27 0.00 99.72 0.05 0.02 0.16 99.48 0.28 0.00 0.00 0.00 5 V H H 4.22 23.10 14.75 38.34 91.66 50.42 -63.56 -43.36 0.17 0.00 99.83 0.03 0.01 0.10 99.76 0.10 0.00 0.00 0.00 6 K H H 43.36 15.36 16.82 32.33 91.53 51.54 -62.82 -41.40 0.38 0.00 99.62 0.04 0.02 0.25 99.54 0.14 0.00 0.00 0.00 7 R H H 157.20 1.68 21.36 22.07 91.91 50.22 -64.25 -40.70 1.16 0.00 98.84 0.07 0.05 0.97 98.58 0.35 0.00 0.00 0.00 8 L H H 61.32 11.40 17.84 29.71 91.96 49.87 -66.97 -35.82 4.83 0.00 95.17 0.12 0.16 4.51 94.75 0.45 0.00 0.00 0.00 9 L C T 19.97 19.84 13.87 33.66 95.55 44.95 -89.35 -2.53 63.47 0.05 36.49 1.11 2.56 57.58 37.56 1.12 0.01 0.01 0.05 10 S C T 84.60 2.29 21.77 23.91 94.97 -126.12 59.07 41.38 99.37 0.01 0.62 7.64 1.58 90.28 0.38 0.10 0.00 0.01 0.00 11 I C C 21.28 20.64 8.32 27.79 112.90 164.22 -94.38 120.52 98.86 0.22 0.91 95.98 1.96 1.07 0.45 0.29 0.00 0.06 0.19 12 T C C 109.81 1.46 17.89 18.97 102.56 174.09 -101.38 -11.40 99.10 0.15 0.75 84.02 12.59 2.52 0.37 0.31 0.00 0.05 0.14 13 N C S 79.81 4.75 14.53 20.73 122.49 81.91 -102.92 150.28 95.89 0.54 3.56 35.05 55.35 5.68 2.02 1.17 0.00 0.15 0.58 14 D H H 104.89 4.83 12.72 19.45 93.74 -128.48 -67.41 -25.85 40.48 0.41 59.12 10.66 11.44 18.09 31.99 27.34 0.03 0.16 0.29 15 K H H 143.84 1.88 16.54 18.56 92.06 63.81 -67.58 -28.97 32.47 0.31 67.21 7.32 5.27 18.28 37.18 31.59 0.03 0.15 0.17 16 H H H 48.33 14.38 12.99 27.61 95.41 53.56 -82.12 -19.48 25.83 0.31 73.86 11.05 3.22 10.68 45.85 28.88 0.01 0.17 0.13 17 D H H 41.73 14.67 13.96 28.83 92.78 71.04 -62.05 -41.18 5.01 0.02 94.97 2.92 0.59 1.47 93.09 1.92 0.00 0.01 0.00 18 E H H 116.29 1.90 22.36 22.67 91.58 51.69 -64.64 -40.32 1.30 0.00 98.69 0.31 0.11 0.73 97.55 1.29 0.00 0.00 0.00 19 Y H H 72.11 9.97 20.18 30.92 91.93 50.37 -64.63 -42.36 0.61 0.00 99.39 0.10 0.04 0.38 98.32 1.15 0.00 0.00 0.00 20 L H H 4.08 25.16 15.09 40.57 91.49 50.24 -64.16 -41.99 0.33 0.00 99.67 0.04 0.02 0.22 99.02 0.71 0.00 0.00 0.00 21 T H H 62.71 10.56 20.96 31.53 91.37 52.39 -64.49 -38.03 1.64 0.00 98.36 0.06 0.05 1.49 97.26 1.15 0.00 0.00 0.00 22 E H H 108.07 3.31 24.33 27.10 92.28 50.89 -67.86 -36.73 9.16 0.00 90.84 0.08 0.15 9.85 88.75 1.18 0.00 0.00 0.00 23 M H H 20.53 19.05 19.83 38.43 94.72 46.07 -75.53 -34.33 7.68 0.00 92.32 0.09 0.21 7.85 91.20 0.64 0.00 0.00 0.00 24 V H H 6.01 24.51 18.12 42.43 91.85 60.69 -61.24 -44.53 0.76 0.00 99.24 0.16 0.06 0.37 99.11 0.29 0.00 0.00 0.00 25 P H H 65.46 5.79 24.71 30.82 91.18 51.02 -62.78 -39.91 0.30 0.00 99.70 0.04 0.01 0.19 99.40 0.37 0.00 0.00 0.00 26 L H H 59.52 7.42 24.43 32.43 91.58 50.13 -64.79 -40.95 0.12 0.00 99.88 0.01 0.00 0.08 99.62 0.29 0.00 0.00 0.00 27 L H H 3.78 24.56 20.16 44.69 91.65 50.06 -64.35 -43.43 0.11 0.00 99.89 0.01 0.01 0.06 99.86 0.07 0.00 0.00 0.00 28 V H H 21.81 18.99 21.77 40.02 91.27 50.61 -62.48 -43.06 0.05 0.00 99.95 0.01 0.00 0.02 99.95 0.01 0.00 0.00 0.00 29 E H H 104.55 2.95 26.76 29.01 91.43 50.08 -63.64 -42.13 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 30 F H H 45.49 11.78 22.91 35.28 91.75 49.17 -64.54 -42.47 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 A H H 1.51 26.10 16.90 43.69 91.42 50.05 -63.28 -43.25 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 32 K H H 69.03 12.98 19.85 32.71 91.50 50.81 -63.29 -41.16 0.58 0.00 99.42 0.04 0.03 0.46 99.27 0.21 0.00 0.00 0.00 33 D H H 99.64 1.90 23.62 24.29 92.02 49.30 -65.98 -39.26 2.60 0.00 97.40 0.09 0.09 2.38 97.05 0.38 0.00 0.00 0.00 34 E H H 54.18 13.80 18.20 31.96 93.62 46.14 -70.98 -37.81 5.91 0.01 94.07 0.21 0.34 5.30 93.76 0.37 0.01 0.00 0.00 35 C H H 14.65 19.71 13.72 33.31 99.12 38.44 -94.49 -6.14 29.87 0.57 69.57 5.65 7.92 17.52 67.37 0.82 0.11 0.13 0.46 36 H C T 146.62 2.81 20.27 23.50 94.79 -125.87 58.78 33.67 97.73 0.54 1.74 35.15 22.37 40.49 0.83 0.65 0.00 0.25 0.26 37 N C S 63.88 11.13 15.42 27.11 120.08 98.52 -121.80 126.34 98.54 0.84 0.61 30.33 63.90 4.43 0.15 0.44 0.00 0.38 0.38 38 P C C 69.61 7.54 20.01 28.03 107.08 -137.82 -76.78 116.78 96.83 1.81 1.36 76.53 14.86 5.38 0.27 1.19 0.00 1.11 0.66 39 F C C 34.05 20.16 13.52 32.82 109.26 -150.51 -91.40 101.40 80.93 17.02 2.05 52.40 23.99 4.83 0.63 1.62 0.00 12.47 4.06 40 I E B 69.34 9.04 16.27 26.54 124.37 85.06 -115.60 141.94 26.87 72.16 0.97 19.93 4.35 0.58 0.73 0.30 0.01 23.86 50.25 41 D C C 54.37 8.91 11.38 21.79 119.97 -129.60 -82.09 164.45 85.78 13.84 0.38 82.55 2.48 0.69 0.13 0.22 0.00 11.50 2.44 42 K C T 165.67 1.78 11.10 14.34 92.23 -105.43 -65.68 -23.54 94.74 3.66 1.60 8.19 15.46 71.14 0.22 1.41 0.00 2.98 0.61 43 D C T 122.71 0.77 11.55 11.62 95.55 53.28 -87.50 3.05 98.19 0.42 1.38 4.10 15.84 78.25 0.15 1.26 0.00 0.27 0.13 44 G C S 49.57 3.69 10.84 16.33 98.26 -102.30 83.82 5.66 96.62 2.07 1.30 17.99 65.65 13.00 0.13 1.22 0.00 1.42 0.58 45 N C C 90.15 3.97 12.37 18.07 118.08 127.00 -87.47 145.11 90.90 7.82 1.28 56.79 27.34 7.09 0.31 1.12 0.00 5.44 1.91 46 E C C 103.30 9.03 13.41 23.42 112.33 -114.21 -86.32 124.88 53.39 44.40 2.21 35.75 13.84 3.35 1.04 1.49 0.06 26.51 17.97 47 S C C 52.73 8.22 19.60 28.14 121.10 165.04 -104.28 147.42 65.50 33.61 0.89 47.58 16.09 1.78 0.41 0.65 0.00 23.65 9.84 48 I C C 23.10 22.28 13.11 34.63 117.38 -106.93 -91.81 133.71 88.42 11.17 0.41 76.31 12.07 0.44 0.31 0.16 0.00 7.39 3.32 49 P C C 30.41 13.11 17.40 31.70 114.06 -106.07 -64.64 148.21 96.88 1.68 1.43 95.18 1.45 0.60 1.17 0.18 0.00 0.87 0.55 50 S H H 78.82 3.96 20.43 25.51 93.71 -107.46 -59.38 -35.22 15.59 0.06 84.34 2.22 2.07 11.25 80.22 4.13 0.02 0.03 0.05 51 G H H 24.05 10.93 20.23 31.60 91.90 52.48 -63.75 -32.73 11.46 0.04 88.50 1.34 1.00 9.07 84.27 4.25 0.02 0.02 0.03 52 V H H 3.91 25.10 17.50 42.71 92.26 53.24 -66.57 -41.09 2.06 0.02 97.92 0.40 0.18 1.33 94.90 3.17 0.00 0.01 0.00 53 L H H 42.93 17.57 22.19 38.42 91.26 53.61 -62.06 -42.53 0.32 0.00 99.67 0.08 0.03 0.17 99.53 0.20 0.00 0.00 0.00 54 I H H 72.15 7.12 26.68 34.18 91.74 50.53 -64.19 -41.96 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 55 F H H 19.92 18.15 23.87 41.75 91.47 49.73 -64.28 -43.42 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 56 V H H 2.18 26.26 23.26 49.35 91.71 49.54 -63.91 -43.48 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 57 A H H 19.15 15.85 24.68 40.30 91.36 51.06 -62.75 -42.91 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 58 K H H 86.75 7.60 27.81 36.05 91.74 49.91 -64.30 -41.52 0.30 0.00 99.70 0.02 0.01 0.20 99.70 0.06 0.00 0.00 0.00 59 A H H 5.87 20.73 22.14 42.85 91.33 50.61 -63.99 -43.02 1.00 0.00 99.00 0.12 0.05 0.65 98.95 0.22 0.00 0.00 0.00 60 A H H 7.93 21.11 21.18 41.93 91.56 51.10 -64.04 -42.15 3.60 0.04 96.36 0.77 0.31 2.25 95.76 0.88 0.00 0.02 0.01 61 Q H H 82.35 7.62 23.85 31.67 91.67 51.73 -64.37 -40.45 11.37 0.15 88.48 2.90 0.98 7.17 86.18 2.61 0.02 0.09 0.05 62 F H H 63.89 10.56 20.40 31.56 92.31 50.81 -65.70 -40.29 17.41 0.31 82.29 5.79 2.08 9.70 78.69 3.42 0.03 0.18 0.11 63 Y H H 52.03 16.95 16.90 33.25 93.74 49.58 -71.83 -33.02 27.55 0.56 71.89 12.99 3.41 12.05 67.43 3.58 0.03 0.29 0.23 64 M H H 75.70 12.46 16.18 28.57 93.95 56.53 -70.43 -29.35 39.53 0.85 59.61 19.70 5.97 14.99 55.30 3.23 0.02 0.39 0.39 65 T C H 91.11 3.62 17.28 21.51 98.42 53.92 -83.79 -9.64 58.21 1.27 40.52 28.12 11.23 19.35 36.64 3.46 0.02 0.53 0.65 66 N C C 83.36 8.86 13.09 22.78 101.77 68.48 -88.51 16.62 79.92 1.51 18.57 53.33 11.40 14.61 14.58 4.46 0.00 0.69 0.93 67 A C T 69.66 6.62 13.43 21.51 110.43 127.88 -76.21 127.18 87.59 1.89 10.53 20.14 14.02 53.89 4.81 5.07 0.01 1.03 1.01 68 G C T 49.23 4.43 16.62 21.93 99.65 16.07 85.22 -0.23 92.71 2.19 5.10 19.07 17.41 56.67 1.13 3.63 0.00 1.55 0.54 69 L C C 58.06 14.34 10.69 25.14 114.40 130.69 -87.35 126.88 67.39 30.41 2.21 55.22 9.05 2.45 0.75 1.63 0.00 27.50 3.41 70 T C E 83.74 4.97 16.76 22.97 113.71 -176.32 -105.90 121.05 52.71 45.84 1.45 35.12 14.84 4.09 0.36 1.04 0.00 43.24 1.31 71 G E E 35.86 9.32 13.39 23.81 134.49 -97.01 -151.05 158.97 16.17 82.97 0.86 11.26 4.02 1.85 0.18 0.58 0.00 81.59 0.51 72 R E E 122.68 6.36 13.49 22.01 128.97 -164.40 -134.36 146.47 6.18 93.56 0.26 5.04 0.97 0.30 0.08 0.13 0.00 93.06 0.41 73 S E E 75.00 4.53 11.12 17.71 118.98 -138.68 -105.84 135.25 10.78 89.04 0.18 8.91 1.40 0.35 0.05 0.10 0.00 88.68 0.50 74 M E E 98.19 5.57 8.93 16.34 114.14 -177.82 -123.57 111.68 32.40 67.16 0.44 22.72 7.84 2.78 0.10 0.38 0.00 65.17 1.00 75 D C T 129.25 0.73 11.57 11.72 104.17 -49.45 52.80 -106.80 98.75 0.79 0.46 3.71 29.18 65.89 0.03 0.43 0.00 0.66 0.10 76 T C T 125.30 0.62 10.81 10.63 98.25 -6.39 -92.73 1.85 99.04 0.49 0.46 3.29 29.84 65.96 0.03 0.42 0.00 0.40 0.07 77 V E E 78.08 5.56 9.31 16.97 122.60 83.32 -114.59 139.13 26.21 73.64 0.16 18.67 7.20 1.01 0.04 0.12 0.00 72.21 0.76 78 S E E 66.40 5.29 12.12 19.49 122.72 -160.22 -115.21 139.27 9.45 90.50 0.05 8.36 0.60 0.09 0.02 0.03 0.00 90.57 0.33 79 Y E E 77.81 11.09 12.52 25.05 126.61 -171.62 -125.82 143.18 4.83 95.12 0.05 4.45 0.28 0.04 0.02 0.02 0.00 94.69 0.49 80 N E E 76.57 6.15 17.19 24.67 123.73 -155.44 -112.98 145.83 18.12 81.61 0.27 16.00 1.70 0.35 0.11 0.15 0.00 80.61 1.07 81 F C C 62.70 15.73 11.08 26.45 103.04 -129.75 -83.12 12.51 63.85 22.81 13.34 34.36 14.73 16.97 2.63 9.81 0.03 19.91 1.57 82 A C C 73.77 4.63 15.40 20.95 98.66 80.16 -84.47 -11.45 75.89 6.03 18.08 28.99 22.26 26.11 2.64 14.52 0.01 4.12 1.35 83 T C C 83.00 3.80 15.10 20.03 118.09 61.13 -106.72 153.04 77.61 4.04 18.35 28.39 26.92 23.29 2.66 15.01 0.01 2.38 1.34 84 E C C 130.52 4.00 16.49 21.72 112.64 -70.89 -86.76 130.40 86.45 3.31 10.24 53.18 20.16 12.94 1.89 8.65 0.00 2.00 1.17 85 I C C 39.65 18.67 9.70 27.32 116.44 -134.58 -89.50 135.07 96.99 2.15 0.86 62.37 34.27 0.60 0.60 0.21 0.00 0.74 1.21 86 P C C 42.46 8.98 14.79 25.74 113.07 -105.72 -63.63 145.05 97.83 0.51 1.66 96.70 0.92 0.49 1.34 0.14 0.00 0.19 0.22 87 S H H 79.29 2.95 15.12 19.29 92.32 -119.26 -59.00 -36.17 8.16 0.03 91.81 1.67 1.20 5.16 89.92 2.00 0.01 0.01 0.02 88 T H H 73.83 3.68 16.80 21.13 91.85 57.24 -65.09 -36.55 5.00 0.02 94.98 0.55 0.44 3.92 93.11 1.96 0.01 0.01 0.01 89 I H H 17.59 18.56 12.99 31.62 92.64 49.38 -66.46 -41.69 1.40 0.01 98.59 0.24 0.12 0.94 96.98 1.70 0.00 0.00 0.00 90 L H H 56.38 12.91 14.66 27.93 91.60 52.27 -63.29 -40.71 0.46 0.00 99.54 0.06 0.03 0.31 98.66 0.94 0.00 0.00 0.00 91 K H H 137.83 1.52 19.67 19.93 92.40 51.15 -65.68 -38.01 1.74 0.00 98.26 0.07 0.06 1.70 95.99 2.19 0.00 0.00 0.00 92 K H H 88.70 8.35 17.28 26.29 93.28 47.51 -71.68 -34.67 5.58 0.00 94.42 0.09 0.13 5.93 92.02 1.83 0.00 0.00 0.00 93 L H H 12.64 21.88 12.13 33.61 96.03 45.42 -81.99 -23.84 16.29 0.05 83.67 0.76 1.58 14.31 79.63 3.56 0.10 0.01 0.05 94 N H G 80.82 8.35 15.85 25.39 92.38 75.36 -61.11 -34.09 14.34 0.12 85.54 2.72 1.31 9.12 8.07 78.67 0.00 0.07 0.03 95 P H G 87.02 3.47 17.82 21.76 91.61 60.69 -69.83 -17.94 15.71 0.11 84.18 1.27 1.15 12.09 5.37 80.04 0.00 0.07 0.02 96 Y H G 78.77 13.50 13.16 26.91 98.10 53.06 -94.69 -0.04 17.14 0.69 82.17 3.72 2.58 10.34 5.98 76.78 0.00 0.49 0.10 97 R C C 101.08 12.01 11.88 24.32 116.55 103.23 -86.30 135.75 61.32 25.59 13.09 44.15 12.45 4.01 8.44 5.33 0.13 14.48 11.03 98 K C C 131.64 4.61 12.77 19.21 114.54 -145.55 -94.08 128.34 67.72 21.25 11.03 52.24 8.81 5.96 7.33 4.27 0.02 16.84 4.52 99 M C C 120.52 5.07 9.71 16.72 113.90 -145.60 -92.06 131.67 73.80 15.71 10.49 52.49 12.20 9.10 5.56 4.77 0.02 13.32 2.55 100 A C C 78.85 3.60 9.12 14.70 116.05 -141.78 -93.73 137.34 86.91 8.27 4.82 80.21 1.69 5.70 2.24 1.61 0.00 6.78 1.78 101 R C C 164.22 3.50 11.11 16.64 114.95 -144.51 -100.56 131.11 99.79 0.19 0.02 99.73 0.09 0.04 0.01 0.00 0.00 0.11 0.01