# 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 92.54 9.40 13.60 23.66 111.99 129.58 -86.32 130.39 99.78 0.05 0.17 99.67 0.09 0.09 0.11 0.01 0.00 0.02 0.01 1 E C C 107.23 6.72 12.11 20.12 103.90 76.89 -79.69 -7.69 59.18 1.24 39.57 52.56 1.16 5.37 38.13 1.69 0.00 0.48 0.61 2 A H H 61.87 4.81 12.68 18.89 105.00 77.92 -78.10 -24.66 43.70 0.54 55.76 28.68 6.14 7.55 55.47 1.72 0.00 0.22 0.22 3 T H H 71.49 4.86 16.28 21.97 100.62 26.46 -74.55 -32.89 29.80 0.42 69.77 21.66 3.61 4.65 68.37 1.38 0.00 0.18 0.15 4 L H H 29.80 18.51 12.76 30.57 93.66 40.02 -64.50 -39.77 5.18 0.07 94.74 3.14 0.74 1.44 93.95 0.69 0.00 0.04 0.02 5 E H H 89.19 8.86 17.65 27.15 92.18 53.81 -63.55 -40.61 1.61 0.02 98.37 0.72 0.21 0.62 98.11 0.32 0.00 0.01 0.00 6 Q H H 102.18 2.10 21.31 21.94 92.02 49.92 -65.22 -40.99 1.27 0.02 98.71 0.47 0.15 0.58 98.51 0.28 0.00 0.01 0.00 7 H H H 49.53 11.88 18.43 31.09 92.16 49.68 -65.06 -42.18 1.08 0.01 98.90 0.34 0.11 0.54 98.81 0.20 0.00 0.01 0.00 8 L H H 15.05 21.16 15.50 36.31 91.97 50.11 -63.94 -41.93 0.61 0.01 99.38 0.16 0.05 0.31 99.34 0.14 0.00 0.00 0.00 9 E H H 98.93 4.45 20.88 25.67 91.58 51.14 -63.52 -40.68 0.67 0.00 99.32 0.11 0.04 0.40 99.24 0.20 0.00 0.00 0.00 10 D H H 79.73 2.78 21.34 23.38 91.94 49.91 -65.64 -40.37 1.53 0.00 98.46 0.15 0.10 1.15 98.00 0.59 0.00 0.00 0.00 11 T H H 17.87 17.65 14.66 32.40 92.66 50.52 -66.83 -37.20 3.46 0.01 96.53 0.18 0.19 2.98 95.30 1.34 0.00 0.00 0.00 12 M H H 69.08 13.98 14.70 28.71 91.64 56.91 -70.27 -21.37 24.95 0.04 75.01 1.00 1.06 22.89 73.42 1.57 0.02 0.01 0.03 13 K C T 159.90 1.15 18.54 18.44 93.19 58.43 -82.89 -10.46 72.48 0.07 27.46 2.77 3.72 64.22 27.43 1.77 0.00 0.02 0.06 14 N C S 60.93 10.30 10.05 21.78 112.78 95.26 -83.97 125.60 99.72 0.21 0.07 33.85 65.69 0.18 0.04 0.01 0.00 0.04 0.17 15 P C T 117.18 1.56 15.77 17.82 94.22 -139.47 -64.38 -21.44 99.61 0.05 0.34 0.47 2.75 96.46 0.02 0.26 0.00 0.03 0.02 16 S C T 66.54 6.75 16.69 24.40 93.74 53.82 -83.04 -1.71 99.83 0.06 0.11 0.78 2.67 96.39 0.00 0.11 0.00 0.04 0.00 17 I E E 19.37 21.77 12.05 33.64 112.67 105.60 -84.43 121.74 19.24 80.71 0.05 17.76 1.13 0.06 0.02 0.03 0.00 78.79 2.21 18 V E E 59.03 9.40 24.88 35.09 100.55 175.99 -102.00 -21.43 19.98 79.99 0.03 16.19 2.54 0.12 0.01 0.02 0.00 80.94 0.19 19 G E E 4.35 18.18 25.54 43.59 147.98 -25.31 -168.49 171.47 5.35 94.61 0.03 3.95 1.02 0.12 0.01 0.02 0.00 94.83 0.05 20 V E E 4.25 25.34 24.83 49.94 131.03 -133.77 -136.41 142.86 1.38 98.59 0.03 1.40 0.05 0.01 0.02 0.01 0.00 98.43 0.08 21 L E E 8.67 23.52 28.54 51.04 119.54 -158.15 -115.06 127.87 1.87 98.09 0.04 1.78 0.08 0.02 0.02 0.01 0.00 98.01 0.09 22 C E E 5.73 23.49 27.37 49.92 121.69 -162.89 -110.62 133.27 10.30 89.66 0.04 8.70 0.84 0.05 0.02 0.02 0.00 90.16 0.21 23 T E E 9.83 21.47 21.90 43.08 135.81 174.98 -134.82 156.49 15.92 84.02 0.07 14.71 1.16 0.06 0.06 0.03 0.00 78.16 5.83 24 D C C 35.17 12.33 21.70 34.24 127.07 -127.04 -89.16 -177.13 71.84 27.99 0.17 69.59 2.35 0.35 0.05 0.11 0.00 24.17 3.37 25 S C T 74.35 8.40 18.30 27.77 91.35 -85.32 -66.32 -19.33 99.05 0.39 0.56 0.46 5.88 92.77 0.02 0.54 0.00 0.26 0.08 26 Q C T 118.26 3.38 21.36 24.94 93.47 56.84 -90.61 -0.99 99.22 0.23 0.55 0.44 5.96 92.84 0.02 0.54 0.00 0.14 0.06 27 G C S 9.68 18.73 17.49 36.19 99.15 -106.24 88.29 6.42 92.69 7.00 0.31 27.59 64.80 1.18 0.04 0.27 0.00 4.17 1.94 28 L C C 46.32 13.79 23.17 37.05 115.26 141.26 -80.18 136.94 56.38 43.47 0.15 52.93 2.32 0.11 0.11 0.05 0.00 12.59 31.90 29 N E E 19.12 22.00 18.63 40.28 108.96 -119.47 -77.46 120.97 32.28 67.60 0.12 31.12 0.71 0.10 0.07 0.06 0.00 39.61 28.33 30 L C T 55.77 14.78 23.16 37.48 97.06 -169.86 -80.35 -19.77 70.99 28.57 0.44 5.30 10.12 57.69 0.03 0.41 0.00 25.09 1.37 31 G C T 28.53 11.38 23.63 34.88 105.50 36.26 -114.03 14.70 83.83 15.94 0.23 3.47 18.86 62.42 0.01 0.24 0.00 14.54 0.46 32 C C C 27.85 20.37 12.89 32.18 126.09 127.76 -99.85 153.52 84.09 15.76 0.15 79.39 4.11 0.48 0.04 0.12 0.00 12.92 2.95 33 R C C 147.76 4.18 19.67 25.34 123.93 -160.36 -125.80 136.23 67.60 31.93 0.47 39.40 24.99 2.78 0.17 0.37 0.00 16.99 15.28 34 G C S 46.91 2.69 19.17 22.06 122.09 2.07 85.05 -153.69 89.97 9.82 0.20 3.95 76.29 10.41 0.01 0.19 0.00 8.32 0.84 35 T C C 104.94 2.10 20.23 22.18 115.03 -23.32 -96.94 126.70 88.43 11.10 0.47 51.19 28.36 9.30 0.11 0.51 0.00 7.23 3.30 36 L C C 27.03 23.10 7.92 29.13 117.56 -146.40 -85.36 136.18 93.78 5.86 0.36 85.29 7.69 0.42 0.19 0.16 0.00 2.17 4.08 37 S C C 54.72 3.88 21.24 24.83 123.95 -147.88 -93.50 163.57 98.78 0.84 0.38 97.90 0.90 0.23 0.16 0.10 0.00 0.31 0.40 38 D H G 113.38 4.25 14.57 21.02 91.49 -101.88 -61.36 -30.76 24.60 0.11 75.29 1.21 2.56 20.03 8.71 67.39 0.00 0.06 0.05 39 E H G 141.94 1.89 18.84 20.49 91.42 60.74 -69.42 -25.58 25.74 0.07 74.19 0.67 1.63 23.24 8.63 65.76 0.00 0.04 0.03 40 H H G 35.39 17.54 14.46 32.00 98.13 44.28 -99.43 -7.45 23.59 0.24 76.18 2.60 2.50 17.47 12.77 64.41 0.01 0.13 0.11 41 A H H 17.13 20.05 15.25 34.94 92.70 91.71 -60.37 -40.85 10.37 0.07 89.56 2.25 1.24 6.90 87.63 1.89 0.01 0.03 0.04 42 G H H 34.81 5.67 24.32 30.37 91.60 53.95 -63.92 -36.95 6.07 0.08 93.85 0.89 0.67 4.58 92.69 1.08 0.01 0.05 0.03 43 V H H 48.20 11.50 24.94 36.45 91.86 51.38 -65.04 -41.58 1.24 0.08 98.69 0.42 0.14 0.65 98.13 0.59 0.00 0.06 0.01 44 I H H 5.27 25.64 20.75 46.26 91.74 49.59 -64.45 -42.58 0.37 0.02 99.60 0.11 0.03 0.17 99.52 0.13 0.00 0.02 0.00 45 S H H 29.03 14.55 24.03 38.15 91.33 51.84 -63.13 -42.16 0.19 0.01 99.80 0.05 0.01 0.09 99.80 0.04 0.00 0.01 0.00 46 V H H 67.36 4.88 27.13 32.12 91.39 49.92 -63.94 -42.67 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 47 L H H 20.80 18.63 22.98 41.34 91.53 50.13 -63.98 -42.90 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 48 A H H 8.42 22.22 20.08 41.74 91.44 50.70 -62.69 -42.38 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 49 Q H H 98.13 5.09 25.82 31.42 91.46 50.21 -63.49 -41.97 0.13 0.00 99.87 0.00 0.00 0.09 99.85 0.04 0.00 0.00 0.00 50 Q H H 76.57 6.85 24.52 31.47 91.63 49.50 -64.74 -41.02 0.38 0.00 99.62 0.02 0.01 0.31 99.46 0.20 0.00 0.00 0.00 51 A H H 7.20 21.44 16.57 38.33 91.26 51.37 -64.58 -38.94 1.73 0.00 98.27 0.06 0.05 1.55 97.43 0.91 0.00 0.00 0.00 52 A H H 41.58 13.37 18.21 31.64 90.89 56.39 -66.40 -27.26 27.97 0.04 71.99 0.48 0.65 27.65 69.37 1.80 0.02 0.01 0.02 53 K C T 140.09 2.41 21.48 23.56 93.76 57.98 -78.33 -14.06 62.68 0.16 37.15 1.77 2.06 56.92 37.01 2.04 0.02 0.06 0.11 54 L C C 69.48 12.13 13.76 26.24 98.62 83.13 -74.53 -18.54 85.53 3.01 11.46 42.29 34.00 8.66 10.10 1.64 0.02 0.80 2.49 55 T C C 60.80 9.75 12.80 23.59 120.59 57.31 -112.46 140.29 94.43 3.83 1.75 81.76 8.83 3.15 1.15 0.58 0.00 1.47 3.07 56 S C S 81.65 3.76 13.07 18.38 101.54 -137.76 -80.56 -6.48 98.04 1.46 0.50 38.57 53.70 5.92 0.12 0.35 0.00 0.67 0.67 57 D C C 84.55 4.57 11.82 18.09 112.46 70.47 -104.43 114.04 98.18 1.48 0.34 56.40 38.75 2.83 0.08 0.27 0.00 0.48 1.19 58 P C T 97.48 5.38 10.12 17.45 95.80 -155.22 -67.04 -16.63 96.17 0.39 3.44 16.30 18.09 60.87 0.23 4.07 0.00 0.21 0.21 59 T C T 110.06 1.53 13.52 15.17 98.48 56.68 -89.48 -5.18 95.55 0.58 3.87 11.27 22.40 60.97 0.24 4.53 0.00 0.33 0.27 60 D C S 80.97 6.08 13.94 21.48 115.97 79.22 -99.26 128.69 94.11 3.07 2.81 35.97 51.10 6.62 0.34 2.74 0.00 1.43 1.79 61 I C C 78.88 10.95 15.88 27.55 115.64 -137.32 -91.52 128.68 96.89 3.02 0.09 86.05 10.81 0.31 0.03 0.06 0.00 2.07 0.67 62 P C C 19.15 19.52 14.15 33.84 116.10 -119.94 -69.57 149.31 92.35 7.59 0.06 87.07 4.91 0.26 0.01 0.04 0.00 7.18 0.53 63 V E E 60.77 9.43 23.19 33.17 118.92 -140.36 -108.73 130.23 16.27 83.67 0.06 13.71 2.51 0.11 0.03 0.03 0.00 82.71 0.87 64 V E E 21.59 21.62 16.49 37.79 122.37 -164.83 -116.72 130.81 1.60 98.35 0.05 1.48 0.09 0.02 0.02 0.01 0.00 98.29 0.09 65 C E E 46.85 10.33 23.54 34.34 122.39 -169.86 -119.72 132.07 1.08 98.88 0.04 0.97 0.05 0.01 0.02 0.01 0.00 98.92 0.03 66 L E E 35.65 17.92 17.25 35.16 120.61 -166.29 -116.21 129.35 2.01 97.93 0.06 1.66 0.16 0.04 0.02 0.02 0.00 98.06 0.06 67 E E E 96.38 7.93 18.81 27.72 122.41 -167.42 -115.83 134.01 10.20 89.59 0.21 8.42 1.34 0.31 0.07 0.10 0.00 89.44 0.32 68 S E E 35.36 10.15 12.26 23.81 132.92 170.43 -129.81 177.79 47.77 51.85 0.38 40.40 5.28 1.03 0.08 0.30 0.00 51.94 0.97 69 D C T 131.11 0.89 14.85 15.19 91.49 -87.36 -65.57 -24.14 97.47 1.47 1.06 2.31 35.61 59.80 0.04 1.00 0.00 1.08 0.17 70 N C T 110.79 2.91 14.98 18.58 100.09 38.00 -102.84 -1.95 97.93 1.14 0.93 2.41 34.16 61.47 0.03 0.91 0.00 0.90 0.13 71 G E E 16.08 9.55 16.91 28.16 140.27 -57.72 157.17 -176.54 35.67 64.03 0.30 23.65 10.21 2.09 0.03 0.31 0.00 63.24 0.48 72 N E E 62.68 10.11 20.26 31.16 128.84 -83.00 -128.13 146.59 4.32 95.67 0.01 3.89 0.20 0.01 0.00 0.00 0.00 95.79 0.09 73 I E E 13.37 22.10 16.83 39.27 123.28 -163.16 -121.56 131.83 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 74 M E E 45.98 10.44 26.37 37.70 118.63 -159.82 -109.30 127.74 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 75 I E E 10.01 24.35 17.76 42.24 121.11 -165.23 -112.00 128.10 0.48 99.52 0.00 0.46 0.00 0.00 0.00 0.00 0.00 99.53 0.01 76 Q E E 60.48 9.12 24.44 34.03 133.62 174.24 -134.22 152.83 0.78 99.22 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.26 0.01 77 K E E 88.92 14.29 15.17 29.16 116.65 -128.60 -95.38 130.53 3.47 96.52 0.01 3.00 0.19 0.02 0.00 0.00 0.00 96.74 0.05 78 H E E 85.41 8.25 14.05 23.92 122.99 172.05 -137.31 125.02 10.82 89.04 0.14 7.09 3.05 0.92 0.02 0.12 0.00 88.21 0.60 79 D C T 134.32 0.64 15.29 14.36 93.50 -16.58 53.59 40.86 99.40 0.36 0.25 0.51 8.34 90.61 0.01 0.25 0.00 0.25 0.04 80 G C T 48.31 5.09 14.95 21.20 94.65 -47.15 81.60 2.16 99.70 0.11 0.18 0.50 8.35 90.87 0.00 0.19 0.00 0.07 0.01 81 I E E 45.20 13.02 16.34 30.51 124.08 105.81 -110.31 137.63 5.08 94.91 0.01 3.29 1.56 0.07 0.00 0.01 0.00 94.79 0.28 82 T E E 16.49 18.30 18.91 37.84 115.92 -137.05 -94.72 129.27 0.73 99.27 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.33 0.01 83 V E E 15.85 17.41 23.94 41.43 124.61 -169.64 -120.48 135.69 0.20 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 84 A E E 6.91 22.28 22.35 44.31 119.65 -158.99 -107.89 130.18 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 85 V E E 22.58 15.58 25.15 40.97 119.57 -164.89 -114.07 126.34 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 86 H E E 29.09 19.14 19.73 38.57 123.05 -166.02 -112.54 136.52 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 87 K E E 72.23 11.28 20.38 32.03 126.01 -170.55 -123.46 140.64 2.32 97.68 0.00 2.12 0.10 0.01 0.00 0.00 0.00 97.71 0.07 88 M E E 92.17 9.55 15.81 26.13 115.18 -124.59 -88.06 134.60 28.84 71.12 0.04 26.58 1.27 0.13 0.01 0.03 0.00 71.51 0.48 89 A C C 55.93 9.02 10.78 20.97 112.79 -117.09 -73.70 145.29 86.12 13.69 0.18 85.77 0.58 0.24 0.03 0.11 0.00 12.82 0.45 90 S C C 83.46 2.91 13.54 17.82 110.10 -122.92 -85.44 134.11 99.91 0.08 0.01 99.83 0.08 0.03 0.00 0.00 0.00 0.04 0.01